CID 67120985

Schembl1685835

Structural Information

Molecular Formula
C18H13ClN2O
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H13ClN2O/c19-15-9-7-13(8-10-15)16-5-1-2-6-17(16)21-18(22)14-4-3-11-20-12-14/h1-12H,(H,21,22)
InChIKey
IHFCDYAEGQBUDY-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

308.07166 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07894 171.4
[M+Na]+ 331.06088 188.9
[M+NH4]+ 326.10548 180.5
[M+K]+ 347.03482 178.9
[M-H]- 307.06438 178.8
[M+Na-2H]- 329.04633 184.0
[M]+ 308.07111 176.5
[M]- 308.07221 176.5
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