CID 9690015

Chembl573834

Structural Information

Molecular Formula
C16H23N3O
SMILES
CC(CCC=C(C)C)C/C=N/NC(=O)C1=CC=NC=C1
InChI
InChI=1S/C16H23N3O/c1-13(2)5-4-6-14(3)7-12-18-19-16(20)15-8-10-17-11-9-15/h5,8-12,14H,4,6-7H2,1-3H3,(H,19,20)/b18-12+
InChIKey
PGRJJPFOGMSWIV-LDADJPATSA-N
Compound name
N-[(E)-3,7-dimethyloct-6-enylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

273.1841 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 169.5
[M+Na]+ 296.17332 172.8
[M-H]- 272.17682 171.9
[M+NH4]+ 291.21792 184.1
[M+K]+ 312.14726 170.1
[M+H-H2O]+ 256.18136 160.7
[M+HCOO]- 318.18230 191.8
[M+CH3COO]- 332.19795 207.4
[M+Na-2H]- 294.15877 171.5
[M]+ 273.18355 170.0
[M]- 273.18465 170.0
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.