CID 3068737

83736-63-4

Structural Information

Molecular Formula
C24H22N4O3
SMILES
CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H22N4O3/c1-27-20(16-26-24(29)18-11-13-19(14-12-18)28(30)31)15-25-23(17-7-3-2-4-8-17)21-9-5-6-10-22(21)27/h2-14,20H,15-16H2,1H3,(H,26,29)
InChIKey
GIYHCXZOMUICAI-UHFFFAOYSA-N
Compound name
N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1692 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17648 203.5
[M+Na]+ 437.15842 206.9
[M-H]- 413.16192 212.1
[M+NH4]+ 432.20302 209.8
[M+K]+ 453.13236 202.5
[M+H-H2O]+ 397.16646 196.4
[M+HCOO]- 459.16740 221.8
[M+CH3COO]- 473.18305 222.9
[M+Na-2H]- 435.14387 208.4
[M]+ 414.16865 198.2
[M]- 414.16975 198.2
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.