CID 29977351

2,3-desisopropylidene topiramate

Structural Information

Molecular Formula
C9H17NO8S
SMILES
CC1(O[C@@H]2CO[C@@]([C@H]([C@@H]2O1)O)(COS(=O)(=O)N)O)C
InChI
InChI=1S/C9H17NO8S/c1-8(2)17-5-3-15-9(12,4-16-19(10,13)14)7(11)6(5)18-8/h5-7,11-12H,3-4H2,1-2H3,(H2,10,13,14)/t5-,6-,7+,9-/m1/s1
InChIKey
VQFMBYSMXMIARD-JAGXHNFQSA-N
Compound name
[(3aR,6R,7S,7aS)-6,7-dihydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl sulfamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

299.06747 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07475 155.4
[M+Na]+ 322.05669 162.5
[M-H]- 298.06019 158.2
[M+NH4]+ 317.10129 171.8
[M+K]+ 338.03063 164.8
[M+H-H2O]+ 282.06473 153.9
[M+HCOO]- 344.06567 164.7
[M+CH3COO]- 358.08132 194.3
[M+Na-2H]- 320.04214 163.9
[M]+ 299.06692 160.1
[M]- 299.06802 160.1
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.