CID 346762

N,n-dibenzyl-3-nitrobenzamide

Structural Information

Molecular Formula
C21H18N2O3
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H18N2O3/c24-21(19-12-7-13-20(14-19)23(25)26)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKey
GFMVTPLWRMCLDL-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.13174 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13902 182.4
[M+Na]+ 369.12096 185.0
[M-H]- 345.12446 192.3
[M+NH4]+ 364.16556 193.4
[M+K]+ 385.09490 177.3
[M+H-H2O]+ 329.12900 176.2
[M+HCOO]- 391.12994 207.1
[M+CH3COO]- 405.14559 211.1
[M+Na-2H]- 367.10641 187.7
[M]+ 346.13119 180.6
[M]- 346.13229 180.6
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.