CID 171119475

Cer(d18:1(4e)/21:0(2oh))

Structural Information

Molecular Formula
C39H77NO4
SMILES
CCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O)O
InChI
InChI=1S/C39H77NO4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(43)39(44)40-36(35-41)37(42)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-38,41-43H,3-30,32,34-35H2,1-2H3,(H,40,44)/b33-31+/t36-,37+,38?/m0/s1
InChIKey
GZTYLQUVVVMTDK-MJFJBNDXSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxyhenicosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.58527 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.59255 269.3
[M+Na]+ 646.57449 273.2
[M-H]- 622.57799 256.2
[M+NH4]+ 641.61909 266.3
[M+K]+ 662.54843 275.7
[M+H-H2O]+ 606.58253 265.9
[M+HCOO]- 668.58347 261.9
[M+CH3COO]- 682.59912 268.8
[M+Na-2H]- 644.55994 250.3
[M]+ 623.58472 263.5
[M]- 623.58582 263.5
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.