CID 171119548

Cer(t18:1(6oh)/14:0(2oh))

Structural Information

Molecular Formula
C32H63NO5
SMILES
CCCCCCCCCCCC[C@H](/C=C/[C@H]([C@H](CO)NC(=O)C(CCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C32H63NO5/c1-3-5-7-9-11-13-15-17-19-21-23-28(35)25-26-30(36)29(27-34)33-32(38)31(37)24-22-20-18-16-14-12-10-8-6-4-2/h25-26,28-31,34-37H,3-24,27H2,1-2H3,(H,33,38)/b26-25+/t28-,29+,30-,31?/m1/s1
InChIKey
UJVWPBUZZGBBCW-LCISZVJRSA-N
Compound name
2-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.47064 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.47792 246.1
[M+Na]+ 564.45986 250.0
[M-H]- 540.46336 237.2
[M+NH4]+ 559.50446 243.3
[M+K]+ 580.43380 250.3
[M+H-H2O]+ 524.46790 243.0
[M+HCOO]- 586.46884 237.3
[M+CH3COO]- 600.48449 249.9
[M+Na-2H]- 562.44531 229.6
[M]+ 541.47009 239.3
[M]- 541.47119 239.3
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.