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 244.4
[M+Na]+ 538.45942 241.4
[M-H]- 514.46292 240.6
[M+NH4]+ 533.50402 248.6
[M+K]+ 554.43336 233.5
[M+H-H2O]+ 498.46746 233.8
[M+HCOO]- 560.46840 255.0
[M+CH3COO]- 574.48405 251.9
[M+Na-2H]- 536.44487 234.3
[M]+ 515.46965 251.5
[M]- 515.47075 251.5
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.