CID 53481051

Cer(d18:1/18:1(11z))

Structural Information

Molecular Formula
C36H69NO3
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCC/C=C\CCCCCC)O
InChI
InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,29,31,34-35,38-39H,3-12,14,16-28,30,32-33H2,1-2H3,(H,37,40)/b15-13-,31-29+/t34-,35+/m0/s1
InChIKey
TZXPILCYVLWMNW-MZPNUNNSSA-N
Compound name
(Z)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadec-11-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

563.5278 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.53508 256.8
[M+Na]+ 586.51702 261.0
[M+NH4]+ 581.56162 256.3
[M+K]+ 602.49096 258.8
[M-H]- 562.52052 244.6
[M+Na-2H]- 584.50247 256.5
[M]+ 563.52725 253.8
[M]- 563.52835 253.8
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

No patent data available for this compound.