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]+ 415.176476 203.5
[M+Na]+ 437.158418 206.9
[M-H]- 413.161924 212.1
[M+NH4]+ 432.203023 209.8
[M+K]+ 453.132358 202.5
[M+H-H2O]+ 397.166460 196.4
[M+HCOO]- 459.167401 221.8
[M+CH3COO]- 473.183051 222.9
[M+Na-2H]- 435.143866 208.4
[M]+ 414.16865142 198.2
[M]- 414.16974858 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.