CID 100993963

(2s,3s,4r)-2-amino-17-methyloctadecane-1,3,4-triol

Structural Information

Molecular Formula
C19H41NO3
SMILES
CC(C)CCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O
InChI
InChI=1S/C19H41NO3/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(22)19(23)17(20)15-21/h16-19,21-23H,3-15,20H2,1-2H3/t17-,18+,19-/m0/s1
InChIKey
QIGBCLIZFAYGQW-OTWHNJEPSA-N
Compound name
(2S,3S,4R)-2-amino-17-methyloctadecane-1,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.30865 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.31593 194.2
[M+Na]+ 354.29787 192.8
[M-H]- 330.30137 187.4
[M+NH4]+ 349.34247 205.2
[M+K]+ 370.27181 189.8
[M+H-H2O]+ 314.30591 187.3
[M+HCOO]- 376.30685 206.2
[M+CH3COO]- 390.32250 212.2
[M+Na-2H]- 352.28332 186.8
[M]+ 331.30810 194.4
[M]- 331.30920 194.4
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.