CID 70698932

Cer(d14:1/24:1)

Structural Information

Molecular Formula
C38H73NO3
SMILES
CCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C38H73NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-12-10-8-6-4-2/h15-16,31,33,36-37,40-41H,3-14,17-30,32,34-35H2,1-2H3,(H,39,42)/b16-15-,33-31+/t36-,37+/m0/s1
InChIKey
MSCLJUVEGRKQEP-HJOGSYLWSA-N
Compound name
(Z)-N-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]tetracos-15-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.559 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.56628 263.9
[M+Na]+ 614.54822 269.6
[M-H]- 590.55172 250.2
[M+NH4]+ 609.59282 261.2
[M+K]+ 630.52216 270.7
[M+H-H2O]+ 574.55626 261.1
[M+HCOO]- 636.55720 261.7
[M+CH3COO]- 650.57285 264.7
[M+Na-2H]- 612.53367 246.2
[M]+ 591.55845 259.0
[M]- 591.55955 259.0
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.