CID 5279129

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

Structural Information

Molecular Formula
C20H14N4O4
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)C(=O)NC(=O)C4=CC=NO4
InChI
InChI=1S/C20H14N4O4/c25-18(15-10-11-21-28-15)24-20(27)17-19(26)22-14-9-5-4-8-13(14)16(23-17)12-6-2-1-3-7-12/h1-11,17H,(H,22,26)(H,24,25,27)
InChIKey
HWHSVQDUHQJUNE-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carbonyl)-1,2-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10878 187.7
[M+Na]+ 397.09072 193.8
[M-H]- 373.09422 195.6
[M+NH4]+ 392.13532 194.8
[M+K]+ 413.06466 194.0
[M+H-H2O]+ 357.09876 177.0
[M+HCOO]- 419.09970 204.0
[M+CH3COO]- 433.11535 196.3
[M+Na-2H]- 395.07617 190.1
[M]+ 374.10095 184.5
[M]- 374.10205 184.5
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.