CID 10255824

C14 dihydroceramide

Structural Information

Molecular Formula
C32H65NO3
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1
InChIKey
UDTSZXVRDXQARY-IOWSJCHKSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

61
Patents

511.49646 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.50374 249.0
[M+Na]+ 534.48568 254.4
[M-H]- 510.48918 235.9
[M+NH4]+ 529.53028 245.8
[M+K]+ 550.45962 254.0
[M+H-H2O]+ 494.49372 246.7
[M+HCOO]- 556.49466 247.3
[M+CH3COO]- 570.51031 250.4
[M+Na-2H]- 532.47113 232.7
[M]+ 511.49591 244.7
[M]- 511.49701 244.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe