CID 44243716

Chembl583308

Structural Information

Molecular Formula
C16H15N3O2
SMILES
COC1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C16H15N3O2/c1-21-15-6-4-13(5-7-15)3-2-10-18-19-16(20)14-8-11-17-12-9-14/h2-12H,1H3,(H,19,20)/b3-2+,18-10+
InChIKey
WGRUOBCCFYMAMC-MKBOCBPUSA-N
Compound name
N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.8
[M+Na]+ 304.10564 170.8
[M-H]- 280.10914 171.1
[M+NH4]+ 299.15024 178.9
[M+K]+ 320.07958 166.8
[M+H-H2O]+ 264.11368 155.1
[M+HCOO]- 326.11462 190.8
[M+CH3COO]- 340.13027 204.7
[M+Na-2H]- 302.09109 171.3
[M]+ 281.11587 165.7
[M]- 281.11697 165.7
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.