PubChemLite - Ag-7404 (C26H29N5O7)

Structural Information

Molecular Formula

SMILES

CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)C3=NOC(=C3)C

InChI

InChI=1S/C26H29N5O7/c1-4-7-21(31-13-6-8-19(26(31)36)29-24(34)20-14-16(3)38-30-20)25(35)28-18(9-10-22(32)37-5-2)15-17-11-12-27-23(17)33/h1,6,8-10,13-14,17-18,21H,5,7,11-12,15H2,2-3H3,(H,27,33)(H,28,35)(H,29,34)/b10-9+/t17-,18+,21-/m0/s1

InChIKey

QCUZOJBYWQPLIN-BNMFZAHFSA-N

Compound name

ethyl (E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxopyridin-1-yl]pent-4-ynoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

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]+	524.21398	223.3
[M+Na]+	546.19592	225.8
[M-H]-	522.19942	224.4
[M+NH4]+	541.24052	223.5
[M+K]+	562.16986	222.0
[M+H-H2O]+	506.20396	206.3
[M+HCOO]-	568.20490	231.0
[M+CH3COO]-	582.22055	247.6
[M+Na-2H]-	544.18137	214.0
[M]+	523.20615	218.2
[M]-	523.20725	218.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

524.21398

223.3

[M+Na]+

546.19592

225.8

[M-H]-

522.19942

224.4

[M+NH4]+

541.24052

223.5

[M+K]+

562.16986

222.0

[M+H-H2O]+

506.20396

206.3

[M+HCOO]-

568.20490

231.0

[M+CH3COO]-

582.22055

247.6

[M+Na-2H]-

544.18137

214.0

[M]+

523.20615

218.2

[M]-

523.20725

218.2

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

Ag-7404

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe