CID 171119550

Cer(t18:1(6oh)/15:0(2oh))

Structural Information

Molecular Formula
C33H65NO5
SMILES
CCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C33H65NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(38)33(39)34-30(28-35)31(37)27-26-29(36)24-22-20-18-16-14-12-10-8-6-4-2/h26-27,29-32,35-38H,3-25,28H2,1-2H3,(H,34,39)/b27-26+/t29-,30+,31-,32?/m1/s1
InChIKey
PCTYDKPDENLJGN-AMGUMQMISA-N
Compound name
2-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]pentadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.48627 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.49355 249.4
[M+Na]+ 578.47549 253.2
[M-H]- 554.47899 240.2
[M+NH4]+ 573.52009 246.6
[M+K]+ 594.44943 253.9
[M+H-H2O]+ 538.48353 246.2
[M+HCOO]- 600.48447 240.2
[M+CH3COO]- 614.50012 252.6
[M+Na-2H]- 576.46094 232.5
[M]+ 555.48572 242.6
[M]- 555.48682 242.6
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.