CID 171119558

Cer(t18:1(6oh)/19:0(2oh))

Structural Information

Molecular Formula
C37H73NO5
SMILES
CCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C37H73NO5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-36(42)37(43)38-34(32-39)35(41)31-30-33(40)28-26-24-22-20-14-12-10-8-6-4-2/h30-31,33-36,39-42H,3-29,32H2,1-2H3,(H,38,43)/b31-30+/t33-,34+,35-,36?/m1/s1
InChIKey
KZMKQPSMXCKLJO-UFFCFSDUSA-N
Compound name
2-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]nonadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

611.5489 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.55618 262.6
[M+Na]+ 634.53812 265.7
[M-H]- 610.54162 251.9
[M+NH4]+ 629.58272 259.6
[M+K]+ 650.51206 268.0
[M+H-H2O]+ 594.54616 258.9
[M+HCOO]- 656.54710 251.8
[M+CH3COO]- 670.56275 263.7
[M+Na-2H]- 632.52357 244.0
[M]+ 611.54835 255.8
[M]- 611.54945 255.8
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.