CID 81674

7252-85-9

Structural Information

Molecular Formula
C19H15N3O2
SMILES
C1=CC=C(C=C1)CN(C(=O)C2=CN=CC=C2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C19H15N3O2/c23-18(16-8-4-10-20-12-16)22(14-15-6-2-1-3-7-15)19(24)17-9-5-11-21-13-17/h1-13H,14H2
InChIKey
UVXQDNULVCVJKZ-UHFFFAOYSA-N
Compound name
N-benzyl-N-(pyridine-3-carbonyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

317.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.123696 173.8
[M+Na]+ 340.105638 178.5
[M-H]- 316.109144 181.4
[M+NH4]+ 335.150243 184.1
[M+K]+ 356.079578 174.5
[M+H-H2O]+ 300.113680 162.2
[M+HCOO]- 362.114621 195.2
[M+CH3COO]- 376.130271 209.5
[M+Na-2H]- 338.091086 179.4
[M]+ 317.11587142 173.2
[M]- 317.11696858 173.2
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