CID 171119551

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

Structural Information

Molecular Formula
C33H65NO4
SMILES
CCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O
InChI
InChI=1S/C33H65NO4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-33(38)34-31(29-35)32(37)28-27-30(36)25-23-21-19-17-14-12-10-8-6-4-2/h27-28,30-32,35-37H,3-26,29H2,1-2H3,(H,34,38)/b28-27+/t30-,31+,32-/m1/s1
InChIKey
ZJFFEPCXOSRJPY-BNBKFBKDSA-N
Compound name
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

539.49133 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.49861 249.5
[M+Na]+ 562.48055 254.4
[M-H]- 538.48405 238.6
[M+NH4]+ 557.52515 246.7
[M+K]+ 578.45449 254.5
[M+H-H2O]+ 522.48859 246.8
[M+HCOO]- 584.48953 244.4
[M+CH3COO]- 598.50518 252.2
[M+Na-2H]- 560.46600 233.0
[M]+ 539.49078 243.8
[M]- 539.49188 243.8
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.