CID 86269023

67492-15-3

Structural Information

Molecular Formula
C33H65NO3
SMILES
CCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C33H65NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32(36)31(30-35)34-33(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h26,28,31-32,35-36H,3-25,27,29-30H2,1-2H3,(H,34,37)/b28-26+/t31-,32+/m0/s1
InChIKey
HBULQAPKKLNTLT-STSAHMJASA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]pentadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

523.49646 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.50374 249.7
[M+Na]+ 546.48568 255.6
[M-H]- 522.48918 237.1
[M+NH4]+ 541.53028 246.8
[M+K]+ 562.45962 255.2
[M+H-H2O]+ 506.49372 247.4
[M+HCOO]- 568.49466 248.6
[M+CH3COO]- 582.51031 252.0
[M+Na-2H]- 544.47113 233.6
[M]+ 523.49591 245.2
[M]- 523.49701 245.2
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

patents stripe