PubChemLite - Methyl 2-[[1-[1-benzyl-2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]-4-oxo-azetidine-2-carbonyl]amino]-3-phenyl-propanoate (C26H29N3O7)

Structural Information

Molecular Formula

SMILES

COC(=O)CNC(=O)C(CC1=CC=CC=C1)N2C(CC2=O)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H29N3O7/c1-35-23(31)16-27-24(32)20(14-18-11-7-4-8-12-18)29-21(15-22(29)30)25(33)28-19(26(34)36-2)13-17-9-5-3-6-10-17/h3-12,19-21H,13-16H2,1-2H3,(H,27,32)(H,28,33)

InChIKey

NCONGNAGDCJZBW-UHFFFAOYSA-N

Compound name

methyl 2-[[1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-oxoazetidine-2-carbonyl]amino]-3-phenylpropanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	496.20784	223.7
[M+Na]+	518.18978	220.3
[M-H]-	494.19328	229.3
[M+NH4]+	513.23438	220.0
[M+K]+	534.16372	223.7
[M+H-H2O]+	478.19782	205.3
[M+HCOO]-	540.19876	238.1
[M+CH3COO]-	554.21441	246.3
[M+Na-2H]-	516.17523	217.5
[M]+	495.20001	233.7
[M]-	495.20111	233.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.20784

223.7

[M+Na]+

518.18978

220.3

[M-H]-

494.19328

229.3

[M+NH4]+

513.23438

220.0

[M+K]+

534.16372

223.7

[M+H-H2O]+

478.19782

205.3

[M+HCOO]-

540.19876

238.1

[M+CH3COO]-

554.21441

246.3

[M+Na-2H]-

516.17523

217.5

[M]+

495.20001

233.7

[M]-

495.20111

233.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Methyl 2-[[1-[1-benzyl-2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]-4-oxo-azetidine-2-carbonyl]amino]-3-phenyl-propanoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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