CID 74463

N-phenylnicotinamide

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChIKey
NYQXIOZBHWFCBU-UHFFFAOYSA-N
Compound name
N-phenylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

1377
Patents

198.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 141.5
[M+Na]+ 221.06854 148.2
[M-H]- 197.07204 146.8
[M+NH4]+ 216.11314 158.5
[M+K]+ 237.04248 144.9
[M+H-H2O]+ 181.07658 133.3
[M+HCOO]- 243.07752 165.8
[M+CH3COO]- 257.09317 184.9
[M+Na-2H]- 219.05399 150.1
[M]+ 198.07877 139.7
[M]- 198.07987 139.7
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