CID 171119554

Cer(t18:1(6oh)/17:0(2oh))

Structural Information

Molecular Formula
C35H69NO5
SMILES
CCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C35H69NO5/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(40)35(41)36-32(30-37)33(39)29-28-31(38)26-24-22-20-18-14-12-10-8-6-4-2/h28-29,31-34,37-40H,3-27,30H2,1-2H3,(H,36,41)/b29-28+/t31-,32+,33-,34?/m1/s1
InChIKey
HIAKZLNBYFZTDF-PSRMWANJSA-N
Compound name
2-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]heptadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.5176 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.52488 256.0
[M+Na]+ 606.50682 259.5
[M-H]- 582.51032 246.1
[M+NH4]+ 601.55142 253.1
[M+K]+ 622.48076 261.0
[M+H-H2O]+ 566.51486 252.6
[M+HCOO]- 628.51580 246.0
[M+CH3COO]- 642.53145 258.2
[M+Na-2H]- 604.49227 238.3
[M]+ 583.51705 249.2
[M]- 583.51815 249.2
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.