CID 11112414

Chembl2021367

Structural Information

Molecular Formula
C25H48O4
SMILES
CC(C)CCCCCCCCCCCCC/C=C\CCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C25H48O4/c1-23(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-25(28)29-22-24(27)21-26/h12,14,23-24,26-27H,3-11,13,15-22H2,1-2H3/b14-12-/t24-/m0/s1
InChIKey
MPXRWZKBFNUKJV-JYAZYPBOSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (Z)-20-methylhenicos-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.35526 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.36254 216.0
[M+Na]+ 435.34448 214.4
[M-H]- 411.34798 210.0
[M+NH4]+ 430.38908 213.6
[M+K]+ 451.31842 209.7
[M+H-H2O]+ 395.35252 208.3
[M+HCOO]- 457.35346 218.7
[M+CH3COO]- 471.36911 225.8
[M+Na-2H]- 433.32993 208.4
[M]+ 412.35471 222.9
[M]- 412.35581 222.9
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.