CID 5279396

Schembl643981

Structural Information

Molecular Formula
C26H27N3O3
SMILES
CC(C)C(=O)NC1C(=O)NC2=CC=CC=C2C(N1)(C3=CC=CC=C3)C4=CC(=CC=C4)OC
InChI
InChI=1S/C26H27N3O3/c1-17(2)24(30)28-23-25(31)27-22-15-8-7-14-21(22)26(29-23,18-10-5-4-6-11-18)19-12-9-13-20(16-19)32-3/h4-17,23,29H,1-3H3,(H,27,31)(H,28,30)
InChIKey
RTPCDLMVVOVVFM-UHFFFAOYSA-N
Compound name
N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

429.20523 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.21251 207.8
[M+Na]+ 452.19445 211.6
[M-H]- 428.19795 213.7
[M+NH4]+ 447.23905 215.0
[M+K]+ 468.16839 210.1
[M+H-H2O]+ 412.20249 197.4
[M+HCOO]- 474.20343 220.3
[M+CH3COO]- 488.21908 213.8
[M+Na-2H]- 450.17990 208.6
[M]+ 429.20468 201.7
[M]- 429.20578 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.