CID 5279388

Schembl643923

Structural Information

Molecular Formula
C25H24ClN3O2
SMILES
CC(C)C(=O)NC1C(=O)NC2=CC=CC=C2C(N1)(C3=CC=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H24ClN3O2/c1-16(2)23(30)28-22-24(31)27-21-14-7-6-13-20(21)25(29-22,17-9-4-3-5-10-17)18-11-8-12-19(26)15-18/h3-16,22,29H,1-2H3,(H,27,31)(H,28,30)
InChIKey
BZSLRJAEORGUCS-UHFFFAOYSA-N
Compound name
N-[5-(3-chlorophenyl)-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

25
Patents

433.1557 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16298 205.5
[M+Na]+ 456.14492 211.5
[M-H]- 432.14842 211.2
[M+NH4]+ 451.18952 213.8
[M+K]+ 472.11886 208.1
[M+H-H2O]+ 416.15296 195.3
[M+HCOO]- 478.15390 214.2
[M+CH3COO]- 492.16955 212.0
[M+Na-2H]- 454.13037 206.4
[M]+ 433.15515 200.1
[M]- 433.15625 200.1
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.