CID 5279113

N-(furan-2-carbonyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

Structural Information

Molecular Formula
C21H15N3O4
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)C(=O)NC(=O)C4=CC=CO4
InChI
InChI=1S/C21H15N3O4/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
CEWUNJYGOHTJHU-UHFFFAOYSA-N
Compound name
N-(furan-2-carbonyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10626 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11354 188.1
[M+Na]+ 396.09548 193.7
[M-H]- 372.09898 197.1
[M+NH4]+ 391.14008 196.6
[M+K]+ 412.06942 194.0
[M+H-H2O]+ 356.10352 178.8
[M+HCOO]- 418.10446 205.3
[M+CH3COO]- 432.12011 197.0
[M+Na-2H]- 394.08093 190.0
[M]+ 373.10571 184.7
[M]- 373.10681 184.7
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.