CID 44246135

Chembl573599

Structural Information

Molecular Formula
C12H15N3O
SMILES
CCC/C=C/C=N/NC(=O)C1=CC=NC=C1
InChI
InChI=1S/C12H15N3O/c1-2-3-4-5-8-14-15-12(16)11-6-9-13-10-7-11/h4-10H,2-3H2,1H3,(H,15,16)/b5-4+,14-8+
InChIKey
DGWGOFAOVAFLLG-DLBFRJOTSA-N
Compound name
N-[(E)-[(E)-hex-2-enylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 150.1
[M+Na]+ 240.11072 155.7
[M-H]- 216.11422 153.1
[M+NH4]+ 235.15532 167.2
[M+K]+ 256.08466 152.9
[M+H-H2O]+ 200.11876 141.9
[M+HCOO]- 262.11970 175.8
[M+CH3COO]- 276.13535 193.6
[M+Na-2H]- 238.09617 156.7
[M]+ 217.12095 150.4
[M]- 217.12205 150.4
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.