CID 5279112

2-oxo-5-phenyl-n-(thiophene-2-carbonyl)-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

Structural Information

Molecular Formula
C21H15N3O3S
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)C(=O)NC(=O)C4=CC=CS4
InChI
InChI=1S/C21H15N3O3S/c25-19(16-11-6-12-28-16)24-21(27)18-20(26)22-15-10-5-4-9-14(15)17(23-18)13-7-2-1-3-8-13/h1-12,18H,(H,22,26)(H,24,25,27)
InChIKey
JSXMKKGPHJPMAL-UHFFFAOYSA-N
Compound name
2-oxo-5-phenyl-N-(thiophene-2-carbonyl)-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0834 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09068 194.4
[M+Na]+ 412.07262 199.9
[M-H]- 388.07612 202.6
[M+NH4]+ 407.11722 204.2
[M+K]+ 428.04656 198.5
[M+H-H2O]+ 372.08066 186.0
[M+HCOO]- 434.08160 207.7
[M+CH3COO]- 448.09725 202.6
[M+Na-2H]- 410.05807 193.8
[M]+ 389.08285 191.4
[M]- 389.08395 191.4
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.