CID 70698934

Cer(d15:1/20:0)

Structural Information

Molecular Formula
C35H69NO3
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCC)O
InChI
InChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-14-12-10-8-6-4-2/h28,30,33-34,37-38H,3-27,29,31-32H2,1-2H3,(H,36,39)/b30-28+/t33-,34+/m0/s1
InChIKey
SLZWCRVFSKONQF-QKSCFGQVSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxypentadec-4-en-2-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.5278 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.53508 256.5
[M+Na]+ 574.51702 262.1
[M-H]- 550.52052 243.1
[M+NH4]+ 569.56162 253.6
[M+K]+ 590.49096 262.5
[M+H-H2O]+ 534.52506 254.0
[M+HCOO]- 596.52600 254.6
[M+CH3COO]- 610.54165 257.6
[M+Na-2H]- 572.50247 239.5
[M]+ 551.52725 251.9
[M]- 551.52835 251.9
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.