CID 171119505

Cer(d18:1/27:0(27oh))

Structural Information

Molecular Formula
C45H89NO4
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C45H89NO4/c1-2-3-4-5-6-7-8-21-24-27-30-33-36-39-44(49)43(42-48)46-45(50)40-37-34-31-28-25-22-19-17-15-13-11-9-10-12-14-16-18-20-23-26-29-32-35-38-41-47/h36,39,43-44,47-49H,2-35,37-38,40-42H2,1H3,(H,46,50)/b39-36+/t43-,44+/m0/s1
InChIKey
LIXHANPNFXNWPT-UIIAJYLHSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-27-hydroxyheptacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

707.67914 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 708.68642 289.7
[M+Na]+ 730.66836 292.0
[M-H]- 706.67186 272.8
[M+NH4]+ 725.71296 285.0
[M+K]+ 746.64230 296.5
[M+H-H2O]+ 690.67640 285.0
[M+HCOO]- 752.67734 282.3
[M+CH3COO]- 766.69299 284.3
[M+Na-2H]- 728.65381 267.5
[M]+ 707.67859 283.7
[M]- 707.67969 283.7
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.