CID 474936

[(1r,3s)-3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methyl sulfamate

Structural Information

Molecular Formula
C10H15N7O3S
SMILES
C1C[C@@H](C[C@@H]1COS(=O)(=O)N)N2C3=NC=NC(=C3N=N2)N
InChI
InChI=1S/C10H15N7O3S/c11-9-8-10(14-5-13-9)17(16-15-8)7-2-1-6(3-7)4-20-21(12,18)19/h5-7H,1-4H2,(H2,11,13,14)(H2,12,18,19)/t6-,7+/m1/s1
InChIKey
UDTDHVJRCIAYRF-RQJHMYQMSA-N
Compound name
[(1R,3S)-3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0957 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10298 167.1
[M+Na]+ 336.08492 177.5
[M-H]- 312.08842 169.3
[M+NH4]+ 331.12952 179.4
[M+K]+ 352.05886 173.8
[M+H-H2O]+ 296.09296 159.4
[M+HCOO]- 358.09390 181.7
[M+CH3COO]- 372.10955 177.6
[M+Na-2H]- 334.07037 169.6
[M]+ 313.09515 169.2
[M]- 313.09625 169.2
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.