CID 5282310

C14 ceramide

Structural Information

Molecular Formula
C32H63NO3
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C32H63NO3/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/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1
InChIKey
ZKRPGPZHULJLKJ-JHRQRACZSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

151
Patents

509.4808 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.48808 246.0
[M+Na]+ 532.47002 250.1
[M+NH4]+ 527.51462 245.7
[M+K]+ 548.44396 247.2
[M-H]- 508.47352 234.3
[M+Na-2H]- 530.45547 246.6
[M]+ 509.48025 243.0
[M]- 509.48135 243.0
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