CID 5279380

N,2-dimethyl-4-nitro-n-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

Structural Information

Molecular Formula
C24H20N4O4
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N(C)C2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O4/c1-15-14-17(28(31)32)12-13-18(15)24(30)27(2)22-23(29)25-20-11-7-6-10-19(20)21(26-22)16-8-4-3-5-9-16/h3-14,22H,1-2H3,(H,25,29)
InChIKey
URJRYPFKHIKZEU-UHFFFAOYSA-N
Compound name
N,2-dimethyl-4-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

0
Patents

428.14847 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.15575 204.9
[M+Na]+ 451.13769 208.8
[M-H]- 427.14119 214.0
[M+NH4]+ 446.18229 210.7
[M+K]+ 467.11163 205.7
[M+H-H2O]+ 411.14573 198.1
[M+HCOO]- 473.14667 222.6
[M+CH3COO]- 487.16232 226.0
[M+Na-2H]- 449.12314 208.6
[M]+ 428.14792 200.1
[M]- 428.14902 200.1
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.