CID 171116422

Cer(t20:1(9z)(19me)/16:0(2oh[r]))

Structural Information

Molecular Formula
C37H73NO5
SMILES
CCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCC/C=C\CCCCCCCCC(C)C)O)O)O
InChI
InChI=1S/C37H73NO5/c1-4-5-6-7-8-9-10-14-18-21-24-27-30-35(41)37(43)38-33(31-39)36(42)34(40)29-26-23-20-17-15-12-11-13-16-19-22-25-28-32(2)3/h15,17,32-36,39-42H,4-14,16,18-31H2,1-3H3,(H,38,43)/b17-15-/t33-,34+,35+,36-/m0/s1
InChIKey
PMDOWGRYYIFUJT-KRICHMCWSA-N
Compound name
(2R)-2-hydroxy-N-[(Z,2S,3S,4R)-1,3,4-trihydroxy-19-methylicos-9-en-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

611.5489 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.55618 261.1
[M+Na]+ 634.53812 264.7
[M-H]- 610.54162 251.9
[M+NH4]+ 629.58272 259.8
[M+K]+ 650.51206 267.6
[M+H-H2O]+ 594.54616 258.1
[M+HCOO]- 656.54710 248.0
[M+CH3COO]- 670.56275 264.4
[M+Na-2H]- 632.52357 243.3
[M]+ 611.54835 254.5
[M]- 611.54945 254.5
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.