CID 169501800

Topiramate metabolite m1

Structural Information

Molecular Formula
C12H21NO8S
SMILES
CC1(O[C@@H]2COC3(C([C@@H]2O1)OC(CO3)(C)O)CS(=O)(=O)N)C
InChI
InChI=1S/C12H21NO8S/c1-10(2)19-7-4-17-12(6-22(13,15)16)9(8(7)20-10)21-11(3,14)5-18-12/h7-9,14H,4-6H2,1-3H3,(H2,13,15,16)/t7-,8-,9?,11?,12?/m1/s1
InChIKey
BGJDNYSMYXFZLG-WQKZGIJMSA-N
Compound name
[(2R,6R)-12-hydroxy-4,4,12-trimethyl-3,5,8,10,13-pentaoxatricyclo[7.4.0.02,6]tridecan-9-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

339.0988 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10608 164.1
[M+Na]+ 362.08802 171.3
[M-H]- 338.09152 169.6
[M+NH4]+ 357.13262 179.7
[M+K]+ 378.06196 176.0
[M+H-H2O]+ 322.09606 163.3
[M+HCOO]- 384.09700 169.2
[M+CH3COO]- 398.11265 205.7
[M+Na-2H]- 360.07347 175.6
[M]+ 339.09825 169.7
[M]- 339.09935 169.7
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.