CID 135483806

Inh deriv.

Structural Information

Molecular Formula
C16H15N3O2
SMILES
C=CCC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)O
InChI
InChI=1S/C16H15N3O2/c1-2-3-14-10-12(4-5-15(14)20)11-18-19-16(21)13-6-8-17-9-7-13/h2,4-11,20H,1,3H2,(H,19,21)/b18-11+
InChIKey
RMNIYZRQKZGBPM-WOJGMQOQSA-N
Compound name
N-[(E)-(4-hydroxy-3-prop-2-enylphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.123696 164.9
[M+Na]+ 304.105638 171.4
[M-H]- 280.109144 170.3
[M+NH4]+ 299.150243 178.6
[M+K]+ 320.079578 166.6
[M+H-H2O]+ 264.113680 155.8
[M+HCOO]- 326.114621 189.4
[M+CH3COO]- 340.130271 204.2
[M+Na-2H]- 302.091086 170.3
[M]+ 281.11587142 164.5
[M]- 281.11696858 164.5
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.