CID 171119555

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

Structural Information

Molecular Formula
C35H69NO4
SMILES
CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O
InChI
InChI=1S/C35H69NO4/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-35(40)36-33(31-37)34(39)30-29-32(38)27-25-23-21-19-14-12-10-8-6-4-2/h29-30,32-34,37-39H,3-28,31H2,1-2H3,(H,36,40)/b30-29+/t32-,33+,34-/m1/s1
InChIKey
HRLJZSWVNYBVNF-MIDPQZENSA-N
Compound name
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

567.52264 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.52992 256.2
[M+Na]+ 590.51186 260.7
[M-H]- 566.51536 244.6
[M+NH4]+ 585.55646 253.3
[M+K]+ 606.48580 261.6
[M+H-H2O]+ 550.51990 253.2
[M+HCOO]- 612.52084 250.3
[M+CH3COO]- 626.53649 257.8
[M+Na-2H]- 588.49731 238.8
[M]+ 567.52209 250.4
[M]- 567.52319 250.4
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.