CID 135449666

Npt 16416

Structural Information

Molecular Formula
C7H6N4OS
SMILES
C1CSC2=NC3=C(N21)N=CNC3=O
InChI
InChI=1S/C7H6N4OS/c12-6-4-5(8-3-9-6)11-1-2-13-7(11)10-4/h3H,1-2H2,(H,8,9,12)
InChIKey
HVYYKMWXZWPMPG-UHFFFAOYSA-N
Compound name
7,8-dihydro-3H-purino[8,9-b][1,3]thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

194.02623 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03351 136.5
[M+Na]+ 217.01545 150.3
[M-H]- 193.01895 137.3
[M+NH4]+ 212.06005 157.0
[M+K]+ 232.98939 146.3
[M+H-H2O]+ 177.02349 130.6
[M+HCOO]- 239.02443 152.2
[M+CH3COO]- 253.04008 150.3
[M+Na-2H]- 215.00090 140.8
[M]+ 194.02568 139.7
[M]- 194.02678 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe