CID 5338182

Niazid 3ph2prop

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

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.