CID 11092732

Cer(d14:1/20:0)

Structural Information

Molecular Formula
C34H67NO3
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCC)O
InChI
InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
InChIKey
DLTXHYMYPKOZOA-TURZORIXSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

537.5121 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.51938 253.1
[M+Na]+ 560.50132 258.9
[M-H]- 536.50482 240.1
[M+NH4]+ 555.54592 250.2
[M+K]+ 576.47526 258.8
[M+H-H2O]+ 520.50936 250.7
[M+HCOO]- 582.51030 251.6
[M+CH3COO]- 596.52595 254.8
[M+Na-2H]- 558.48677 236.6
[M]+ 537.51155 248.6
[M]- 537.51265 248.6
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