CID 145715020

Cer(t18:0/17:0)

Structural Information

Molecular Formula
C35H71NO4
SMILES
CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(39)36-32(31-37)35(40)33(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h32-33,35,37-38,40H,3-31H2,1-2H3,(H,36,39)/t32-,33+,35-/m0/s1
InChIKey
WRBLYLUHABAWGS-UJNSZXMOSA-N
Compound name
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]heptadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.5383 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.54558 259.0
[M+Na]+ 592.52752 262.9
[M-H]- 568.53102 246.5
[M+NH4]+ 587.57212 255.7
[M+K]+ 608.50146 264.3
[M+H-H2O]+ 552.53556 255.9
[M+HCOO]- 614.53650 252.1
[M+CH3COO]- 628.55215 259.0
[M+Na-2H]- 590.51297 241.0
[M]+ 569.53775 253.4
[M]- 569.53885 253.4
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.