CID 171119566

Cer(t18:1(6oh)/23:0(2oh))

Structural Information

Molecular Formula
C41H81NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C41H81NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-40(46)41(47)42-38(36-43)39(45)35-34-37(44)32-30-28-26-24-14-12-10-8-6-4-2/h34-35,37-40,43-46H,3-33,36H2,1-2H3,(H,42,47)/b35-34+/t37-,38+,39-,40?/m1/s1
InChIKey
VQWHOCPPMXDCBB-KLEXXAEUSA-N
Compound name
2-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]tricosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

667.61145 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 668.61873 275.3
[M+Na]+ 690.60067 277.8
[M-H]- 666.60417 263.1
[M+NH4]+ 685.64527 272.3
[M+K]+ 706.57461 281.7
[M+H-H2O]+ 650.60871 271.3
[M+HCOO]- 712.60965 263.0
[M+CH3COO]- 726.62530 274.5
[M+Na-2H]- 688.58612 255.2
[M]+ 667.61090 268.6
[M]- 667.61200 268.6
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.