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

literature stripe

Patent stripe

patents stripe