PubChemLite - 2-(isobutylamino)-n-[2-[2-(3-methoxy-4-oxazol-5-yl-anilino)oxazol-5-yl]phenyl]-n-methyl-acetamide (C26H29N5O4)

Structural Information

Molecular Formula

SMILES

CC(C)CNCC(=O)N(C)C1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC

InChI

InChI=1S/C26H29N5O4/c1-17(2)12-27-15-25(32)31(3)21-8-6-5-7-19(21)24-14-29-26(35-24)30-18-9-10-20(22(11-18)33-4)23-13-28-16-34-23/h5-11,13-14,16-17,27H,12,15H2,1-4H3,(H,29,30)

InChIKey

HQMYXXARINYKFO-UHFFFAOYSA-N

Compound name

N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-(2-methylpropylamino)acetamide

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]+	476.22923	216.8
[M+Na]+	498.21117	221.2
[M-H]-	474.21467	230.8
[M+NH4]+	493.25577	221.8
[M+K]+	514.18511	220.4
[M+H-H2O]+	458.21921	205.5
[M+HCOO]-	520.22015	240.3
[M+CH3COO]-	534.23580	246.3
[M+Na-2H]-	496.19662	216.0
[M]+	475.22140	224.3
[M]-	475.22250	224.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.22923

216.8

[M+Na]+

498.21117

221.2

[M-H]-

474.21467

230.8

[M+NH4]+

493.25577

221.8

[M+K]+

514.18511

220.4

[M+H-H2O]+

458.21921

205.5

[M+HCOO]-

520.22015

240.3

[M+CH3COO]-

534.23580

246.3

[M+Na-2H]-

496.19662

216.0

[M]+

475.22140

224.3

[M]-

475.22250

224.3

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

2-(isobutylamino)-n-[2-[2-(3-methoxy-4-oxazol-5-yl-anilino)oxazol-5-yl]phenyl]-n-methyl-acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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