CID 710813

N-benzhydryl-4-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C21H18N2O3
SMILES
CC1=C(C=C(C=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H18N2O3/c1-15-12-13-18(14-19(15)23(25)26)21(24)22-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,22,24)
InChIKey
LSUURGDLVVFGBE-UHFFFAOYSA-N
Compound name
N-benzhydryl-4-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.13174 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13902 181.6
[M+Na]+ 369.12096 196.7
[M+NH4]+ 364.16556 189.3
[M+K]+ 385.09490 191.1
[M-H]- 345.12446 189.9
[M+Na-2H]- 367.10641 192.2
[M]+ 346.13119 186.0
[M]- 346.13229 186.0
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.