CID 474931

Nsc664885

Structural Information

Molecular Formula
C11H14N6O3S
SMILES
C1[C@@H](C=C[C@@H]1N2C=NC3=C(N=CN=C32)N)COS(=O)(=O)N
InChI
InChI=1S/C11H14N6O3S/c12-10-9-11(15-5-14-10)17(6-16-9)8-2-1-7(3-8)4-20-21(13,18)19/h1-2,5-8H,3-4H2,(H2,12,14,15)(H2,13,18,19)/t7-,8+/m1/s1
InChIKey
XFKWYFKSQWBXQJ-SFYZADRCSA-N
Compound name
[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.0848 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09208 166.5
[M+Na]+ 333.07402 177.5
[M-H]- 309.07752 170.2
[M+NH4]+ 328.11862 180.4
[M+K]+ 349.04796 173.5
[M+H-H2O]+ 293.08206 159.1
[M+HCOO]- 355.08300 183.5
[M+CH3COO]- 369.09865 177.9
[M+Na-2H]- 331.05947 169.6
[M]+ 310.08425 169.9
[M]- 310.08535 169.9
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.