CID 587609

N-benzhydryl-2-chlorobenzamide

Structural Information

Molecular Formula
C20H16ClNO
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H16ClNO/c21-18-14-8-7-13-17(18)20(23)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)
InChIKey
MHSQPODDPOIAKE-UHFFFAOYSA-N
Compound name
N-benzhydryl-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

321.09204 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09932 174.8
[M+Na]+ 344.08126 180.7
[M-H]- 320.08476 183.8
[M+NH4]+ 339.12586 188.6
[M+K]+ 360.05520 173.9
[M+H-H2O]+ 304.08930 166.2
[M+HCOO]- 366.09024 193.3
[M+CH3COO]- 380.10589 185.4
[M+Na-2H]- 342.06671 178.9
[M]+ 321.09149 174.9
[M]- 321.09259 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.