CID 82513

N-(4-cyanophenyl)benzamide

Structural Information

Molecular Formula
C14H10N2O
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H10N2O/c15-10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h1-9H,(H,16,17)
InChIKey
BXZUKYCXOQHJAM-UHFFFAOYSA-N
Compound name
N-(4-cyanophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

222.07932 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.086596 155.6
[M+Na]+ 245.068538 164.7
[M-H]- 221.072044 160.8
[M+NH4]+ 240.113143 171.1
[M+K]+ 261.042478 159.2
[M+H-H2O]+ 205.076580 141.6
[M+HCOO]- 267.077521 176.3
[M+CH3COO]- 281.093171 201.9
[M+Na-2H]- 243.053986 160.7
[M]+ 222.07877142 149.0
[M]- 222.07986858 149.0
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

patents stripe