CID 52931117

Cer(d18:2/15:0)

Structural Information

Molecular Formula
C33H63NO3
SMILES
CCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O
InChI
InChI=1S/C33H63NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32(36)31(30-35)34-33(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h7,9,26,28,31-32,35-36H,3-6,8,10-25,27,29-30H2,1-2H3,(H,34,37)/b9-7-,28-26+/t31-,32+/m0/s1
InChIKey
WVUMVKXTENDFEA-RLCAHUBLSA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]pentadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.4808 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.48808 247.2
[M+Na]+ 544.47002 253.7
[M-H]- 520.47352 235.4
[M+NH4]+ 539.51462 244.6
[M+K]+ 560.44396 252.8
[M+H-H2O]+ 504.47806 244.9
[M+HCOO]- 566.47900 246.9
[M+CH3COO]- 580.49465 250.7
[M+Na-2H]- 542.45547 231.6
[M]+ 521.48025 242.5
[M]- 521.48135 242.5
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.