CID 505917

[2-((1r,2r)-1,2,3-trihydroxypropyl)(4s,2r,3r)-4-amino-6-(1-methylvinyl)(2h-3,4-dihydropyran-3-yl)][(trifluoromethyl)sulfonyl]amine

Structural Information

Molecular Formula
C12H19F3N2O6S
SMILES
CC(=C)C1=C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NS(=O)(=O)C(F)(F)F)N
InChI
InChI=1S/C12H19F3N2O6S/c1-5(2)8-3-6(16)9(17-24(21,22)12(13,14)15)11(23-8)10(20)7(19)4-18/h3,6-7,9-11,17-20H,1,4,16H2,2H3/t6-,7+,9+,10+,11+/m0/s1
InChIKey
RPPBURKRBRFTMI-CNYIRLTGSA-N
Compound name
N-[(2R,3R,4S)-4-amino-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.09158 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09886 176.2
[M+Na]+ 399.08080 179.2
[M-H]- 375.08430 171.0
[M+NH4]+ 394.12540 183.8
[M+K]+ 415.05474 177.1
[M+H-H2O]+ 359.08884 167.8
[M+HCOO]- 421.08978 179.9
[M+CH3COO]- 435.10543 213.4
[M+Na-2H]- 397.06625 174.0
[M]+ 376.09103 170.0
[M]- 376.09213 170.0
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.