CID 5338182

N-[(e)-[(e)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H13N3O/c19-15(14-9-5-10-16-12-14)18-17-11-4-8-13-6-2-1-3-7-13/h1-12H,(H,18,19)/b8-4+,17-11+
InChIKey
SVJATTOEWSHGJI-BAGULLTOSA-N
Compound name
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

251.10587 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 157.0
[M+Na]+ 274.095088 162.6
[M-H]- 250.098594 163.1
[M+NH4]+ 269.139693 172.1
[M+K]+ 290.069028 158.2
[M+H-H2O]+ 234.103130 147.5
[M+HCOO]- 296.104071 183.1
[M+CH3COO]- 310.119721 198.4
[M+Na-2H]- 272.080536 164.7
[M]+ 251.10532142 155.7
[M]- 251.10641858 155.7
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