CID 710764

N-benzhydryl-2-nitrobenzamide

Structural Information

Molecular Formula
C20H16N2O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O3/c23-20(17-13-7-8-14-18(17)22(24)25)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,21,23)
InChIKey
HCGGJJAZZONEIN-UHFFFAOYSA-N
Compound name
N-benzhydryl-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1161 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 176.7
[M+Na]+ 355.10532 179.4
[M-H]- 331.10882 185.5
[M+NH4]+ 350.14992 187.6
[M+K]+ 371.07926 171.0
[M+H-H2O]+ 315.11336 171.2
[M+HCOO]- 377.11430 200.4
[M+CH3COO]- 391.12995 205.6
[M+Na-2H]- 353.09077 182.3
[M]+ 332.11555 172.8
[M]- 332.11665 172.8
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.