CID 213668

26863-95-6

Structural Information

Molecular Formula
C19H16N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C19H16N2O/c22-19(17-11-13-20-14-12-17)21-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,18H,(H,21,22)
InChIKey
GBZKRGRJAGTFOU-UHFFFAOYSA-N
Compound name
N-benzhydrylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

288.12625 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13353 167.3
[M+Na]+ 311.11547 171.7
[M-H]- 287.11897 174.8
[M+NH4]+ 306.16007 179.7
[M+K]+ 327.08941 166.5
[M+H-H2O]+ 271.12351 157.0
[M+HCOO]- 333.12445 189.2
[M+CH3COO]- 347.14010 177.5
[M+Na-2H]- 309.10092 173.4
[M]+ 288.12570 164.4
[M]- 288.12680 164.4
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