CID 171119567

Cer(t18:1(6oh)/23:0)

Structural Information

Molecular Formula
C41H81NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O
InChI
InChI=1S/C41H81NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-41(46)42-39(37-43)40(45)36-35-38(44)33-31-29-27-25-14-12-10-8-6-4-2/h35-36,38-40,43-45H,3-34,37H2,1-2H3,(H,42,46)/b36-35+/t38-,39+,40-/m1/s1
InChIKey
YLYBQPQNOPCJMC-VDUAXVOPSA-N
Compound name
N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]tricosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

651.6166 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.62388 275.8
[M+Na]+ 674.60582 279.3
[M-H]- 650.60932 261.9
[M+NH4]+ 669.65042 272.7
[M+K]+ 690.57976 282.7
[M+H-H2O]+ 634.61386 272.1
[M+HCOO]- 696.61480 267.5
[M+CH3COO]- 710.63045 274.3
[M+Na-2H]- 672.59127 255.9
[M]+ 651.61605 269.9
[M]- 651.61715 269.9
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.