CID 6862358

4813-11-0

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C15H13N3O/c19-15(14-8-11-16-12-9-14)18-17-10-4-7-13-5-2-1-3-6-13/h1-12H,(H,18,19)/b7-4+,17-10+
InChIKey
IZMVXNJRIXIGGM-CUQLSPFUSA-N
Compound name
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

6
Patents

251.10587 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 157.0
[M+Na]+ 274.09509 162.6
[M-H]- 250.09859 163.1
[M+NH4]+ 269.13969 172.1
[M+K]+ 290.06903 158.2
[M+H-H2O]+ 234.10313 147.5
[M+HCOO]- 296.10407 183.1
[M+CH3COO]- 310.11972 198.4
[M+Na-2H]- 272.08054 164.7
[M]+ 251.10532 155.7
[M]- 251.10642 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