PubChemLite - Bms-337197 (C26H27N5O5)

Structural Information

Molecular Formula

SMILES

CN(C1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC)C(=O)CN5CCOCC5

InChI

InChI=1S/C26H27N5O5/c1-30(25(32)16-31-9-11-34-12-10-31)21-6-4-3-5-19(21)24-15-28-26(36-24)29-18-7-8-20(22(13-18)33-2)23-14-27-17-35-23/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29)

InChIKey

GLOULEOFVQQCTE-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-morpholin-4-ylacetamide

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]+	490.20851	214.0
[M+Na]+	512.19045	218.0
[M-H]-	488.19395	229.4
[M+NH4]+	507.23505	215.2
[M+K]+	528.16439	217.8
[M+H-H2O]+	472.19849	202.2
[M+HCOO]-	534.19943	232.1
[M+CH3COO]-	548.21508	221.9
[M+Na-2H]-	510.17590	212.7
[M]+	489.20068	218.2
[M]-	489.20178	218.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.20851

214.0

[M+Na]+

512.19045

218.0

[M-H]-

488.19395

229.4

[M+NH4]+

507.23505

215.2

[M+K]+

528.16439

217.8

[M+H-H2O]+

472.19849

202.2

[M+HCOO]-

534.19943

232.1

[M+CH3COO]-

548.21508

221.9

[M+Na-2H]-

510.17590

212.7

[M]+

489.20068

218.2

[M]-

489.20178

218.2

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

Bms-337197

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe