CID 163114783

(2r)-2-hydroxy-n-[(2s,3s,4r)-1,3,4-trihydroxy-16-methylheptadecan-2-yl]docosanamide

Structural Information

Molecular Formula
C40H81NO5
SMILES
CCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCC(C)C)O)O)O
InChI
InChI=1S/C40H81NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-38(44)40(46)41-36(34-42)39(45)37(43)32-29-26-23-21-18-19-22-25-28-31-35(2)3/h35-39,42-45H,4-34H2,1-3H3,(H,41,46)/t36-,37+,38+,39-/m0/s1
InChIKey
WEVHDEVOQGWFBM-KSLZXYGFSA-N
Compound name
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-16-methylheptadecan-2-yl]docosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

655.61145 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 656.61873 273.6
[M+Na]+ 678.60067 276.1
[M-H]- 654.60417 262.4
[M+NH4]+ 673.64527 271.9
[M+K]+ 694.57461 280.6
[M+H-H2O]+ 638.60871 270.2
[M+HCOO]- 700.60965 258.4
[M+CH3COO]- 714.62530 273.7
[M+Na-2H]- 676.58612 254.0
[M]+ 655.61090 267.2
[M]- 655.61200 267.2
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.