CID 44246134

Chembl573600

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC/C=C/C=N/NC(=O)C1=CC=NC=C1
InChI
InChI=1S/C11H13N3O/c1-2-3-4-7-13-14-11(15)10-5-8-12-9-6-10/h3-9H,2H2,1H3,(H,14,15)/b4-3+,13-7+
InChIKey
FRYUVTSTYUBOMC-LIDPDAEMSA-N
Compound name
N-[(E)-[(E)-pent-2-enylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

203.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 145.6
[M+Na]+ 226.09509 151.6
[M-H]- 202.09859 148.8
[M+NH4]+ 221.13969 163.2
[M+K]+ 242.06903 149.1
[M+H-H2O]+ 186.10313 137.6
[M+HCOO]- 248.10407 171.6
[M+CH3COO]- 262.11972 190.6
[M+Na-2H]- 224.08054 152.7
[M]+ 203.10532 145.5
[M]- 203.10642 145.5
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.