CID 343502

Nsc382957

Structural Information

Molecular Formula
C16H11ClN4O4
SMILES
C1=CC(=CC=C1C(=O)NC2C=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)Cl
InChI
InChI=1S/C16H11ClN4O4/c17-10-3-1-9(2-4-10)15(22)20-14-8-18-12-6-5-11(21(24)25)7-13(12)19-16(14)23/h1-8,14H,(H,19,23)(H,20,22)
InChIKey
WMBXQATVYXLVRX-UHFFFAOYSA-N
Compound name
4-chloro-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.04688 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05416 179.6
[M+Na]+ 381.03610 186.2
[M-H]- 357.03960 184.6
[M+NH4]+ 376.08070 189.0
[M+K]+ 397.01004 182.3
[M+H-H2O]+ 341.04414 174.8
[M+HCOO]- 403.04508 194.5
[M+CH3COO]- 417.06073 206.4
[M+Na-2H]- 379.02155 185.8
[M]+ 358.04633 175.6
[M]- 358.04743 175.6
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.