CID 5279387

Schembl643985

Structural Information

Molecular Formula
C23H20ClN3O2
SMILES
CC(=O)NC1C(=O)NC2=CC=CC=C2C(N1)(C3=CC=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H20ClN3O2/c1-15(28)25-21-22(29)26-20-13-6-5-12-19(20)23(27-21,16-8-3-2-4-9-16)17-10-7-11-18(24)14-17/h2-14,21,27H,1H3,(H,25,28)(H,26,29)
InChIKey
GMPRMLYLBPEPMS-UHFFFAOYSA-N
Compound name
N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

405.1244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13168 198.7
[M+Na]+ 428.11362 205.9
[M-H]- 404.11712 204.7
[M+NH4]+ 423.15822 208.2
[M+K]+ 444.08756 202.1
[M+H-H2O]+ 388.12166 188.6
[M+HCOO]- 450.12260 208.9
[M+CH3COO]- 464.13825 206.1
[M+Na-2H]- 426.09907 201.5
[M]+ 405.12385 193.2
[M]- 405.12495 193.2
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.