CID 5279124

Schembl643112

Structural Information

Molecular Formula
C22H16N4O4
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C22H16N4O4/c27-21(16-11-5-7-13-18(16)26(29)30)25-20-22(28)23-17-12-6-4-10-15(17)19(24-20)14-8-2-1-3-9-14/h1-13,20H,(H,23,28)(H,25,27)
InChIKey
FPVGYADTHBSFFE-UHFFFAOYSA-N
Compound name
2-nitro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

400.11716 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12444 196.7
[M+Na]+ 423.10638 200.4
[M-H]- 399.10988 204.4
[M+NH4]+ 418.15098 202.7
[M+K]+ 439.08032 196.2
[M+H-H2O]+ 383.11442 190.1
[M+HCOO]- 445.11536 214.6
[M+CH3COO]- 459.13101 216.4
[M+Na-2H]- 421.09183 202.5
[M]+ 400.11661 189.8
[M]- 400.11771 189.8
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

patents stripe