CID 171119532

Cer(t18:0/17:0(2oh))

Structural Information

Molecular Formula
C35H71NO5
SMILES
CCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C35H71NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(39)35(41)36-31(30-37)34(40)32(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,37-40H,3-30H2,1-2H3,(H,36,41)/t31-,32+,33?,34-/m0/s1
InChIKey
JDYGRFHKPIRNHH-GQPCKJKKSA-N
Compound name
2-hydroxy-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

585.5332 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.54048 258.9
[M+Na]+ 608.52242 261.7
[M-H]- 584.52592 248.1
[M+NH4]+ 603.56702 255.7
[M+K]+ 624.49636 263.6
[M+H-H2O]+ 568.53046 255.4
[M+HCOO]- 630.53140 248.0
[M+CH3COO]- 644.54705 259.4
[M+Na-2H]- 606.50787 240.5
[M]+ 585.53265 252.3
[M]- 585.53375 252.3
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.