CID 129711227

3,5-didecanoyl-4-nonyl-1,4-dihydropyridine

Structural Information

Molecular Formula
C34H61NO2
SMILES
CCCCCCCCCC1C(=CNC=C1C(=O)CCCCCCCCC)C(=O)CCCCCCCCC
InChI
InChI=1S/C34H61NO2/c1-4-7-10-13-16-19-22-25-30-31(33(36)26-23-20-17-14-11-8-5-2)28-35-29-32(30)34(37)27-24-21-18-15-12-9-6-3/h28-30,35H,4-27H2,1-3H3
InChIKey
WBCPDCHBBWAFSO-UHFFFAOYSA-N
Compound name
1-(5-decanoyl-4-nonyl-1,4-dihydropyridin-3-yl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.4702 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.47748 244.3
[M+Na]+ 538.45942 250.5
[M+NH4]+ 533.50402 239.5
[M+K]+ 554.43336 240.3
[M-H]- 514.46292 243.2
[M+Na-2H]- 536.44487 242.3
[M]+ 515.46965 244.5
[M]- 515.47075 244.5
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

No patent data available for this compound.