CID 9574839

Schembl2997446

Structural Information

Molecular Formula
C17H25N3O
SMILES
C/C=C/CCCCCCC/C=N/NC(=O)C1=CC=NC=C1
InChI
InChI=1S/C17H25N3O/c1-2-3-4-5-6-7-8-9-10-13-19-20-17(21)16-11-14-18-15-12-16/h2-3,11-15H,4-10H2,1H3,(H,20,21)/b3-2+,19-13+
InChIKey
PDGIAJUWZYAWQT-QXHFRNOBSA-N
Compound name
N-[(E)-[(E)-undec-9-enylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

287.19977 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 172.5
[M+Na]+ 310.18899 175.9
[M-H]- 286.19249 174.5
[M+NH4]+ 305.23359 186.7
[M+K]+ 326.16293 171.9
[M+H-H2O]+ 270.19703 163.3
[M+HCOO]- 332.19797 196.5
[M+CH3COO]- 346.21362 208.8
[M+Na-2H]- 308.17444 176.5
[M]+ 287.19922 174.6
[M]- 287.20032 174.6
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.