CID 474935

Nsc664889

Structural Information

Molecular Formula
C11H16N6O3S
SMILES
C1C[C@@H](C[C@@H]1COS(=O)(=O)N)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H16N6O3S/c12-10-9-11(15-5-14-10)17(6-16-9)8-2-1-7(3-8)4-20-21(13,18)19/h5-8H,1-4H2,(H2,12,14,15)(H2,13,18,19)/t7-,8+/m1/s1
InChIKey
NDRHVTJVAGDBKF-SFYZADRCSA-N
Compound name
[(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]methyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.10046 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10774 167.2
[M+Na]+ 335.08968 177.2
[M-H]- 311.09318 170.5
[M+NH4]+ 330.13428 181.0
[M+K]+ 351.06362 173.4
[M+H-H2O]+ 295.09772 159.8
[M+HCOO]- 357.09866 182.8
[M+CH3COO]- 371.11431 203.6
[M+Na-2H]- 333.07513 169.4
[M]+ 312.09991 169.3
[M]- 312.10101 169.3
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.