CID 135409195

Nsc664888

Structural Information

Molecular Formula
C11H14N6O4S
SMILES
C1C(C=CC1N2C=NC3=C2N=C(NC3=O)N)COS(=O)(=O)N
InChI
InChI=1S/C11H14N6O4S/c12-11-15-9-8(10(18)16-11)14-5-17(9)7-2-1-6(3-7)4-21-22(13,19)20/h1-2,5-7H,3-4H2,(H2,13,19,20)(H3,12,15,16,18)
InChIKey
VOTHKJDIPGWYEK-UHFFFAOYSA-N
Compound name
[4-(2-amino-6-oxo-1H-purin-9-yl)cyclopent-2-en-1-yl]methyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0797 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08698 170.1
[M+Na]+ 349.06892 181.3
[M-H]- 325.07242 172.8
[M+NH4]+ 344.11352 182.7
[M+K]+ 365.04286 176.5
[M+H-H2O]+ 309.07696 163.3
[M+HCOO]- 371.07790 185.8
[M+CH3COO]- 385.09355 204.1
[M+Na-2H]- 347.05437 172.4
[M]+ 326.07915 172.7
[M]- 326.08025 172.7
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.