CID 134745021

Cer(d19:1/24:0)

Structural Information

Molecular Formula
C43H85NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCCC)O
InChI
InChI=1S/C43H85NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h36,38,41-42,45-46H,3-35,37,39-40H2,1-2H3,(H,44,47)/b38-36+/t41-,42+/m0/s1
InChIKey
KSYIVRBEJSMJMX-PVNBSDFKSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxynonadec-4-en-2-yl]tetracosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.65295 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.66023 282.7
[M+Na]+ 686.64217 286.9
[M-H]- 662.64567 266.3
[M+NH4]+ 681.68677 279.6
[M+K]+ 702.61611 290.6
[M+H-H2O]+ 646.65021 279.3
[M+HCOO]- 708.65115 277.8
[M+CH3COO]- 722.66680 279.7
[M+Na-2H]- 684.62762 262.4
[M]+ 663.65240 277.9
[M]- 663.65350 277.9
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.