CID 52931114

Cer(d18:0/15:0)

Structural Information

Molecular Formula
C33H67NO3
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCC)O
InChI
InChI=1S/C33H67NO3/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/h31-32,35-36H,3-30H2,1-2H3,(H,34,37)/t31-,32+/m0/s1
InChIKey
IZHDCKVGRKOGIB-AJQTZOPKSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]pentadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

525.5121 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.51938 252.4
[M+Na]+ 548.50132 257.7
[M-H]- 524.50482 239.0
[M+NH4]+ 543.54592 249.2
[M+K]+ 564.47526 257.7
[M+H-H2O]+ 508.50936 250.0
[M+HCOO]- 570.51030 250.4
[M+CH3COO]- 584.52595 253.2
[M+Na-2H]- 546.48677 235.7
[M]+ 525.51155 248.1
[M]- 525.51265 248.1
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