CID 5271918

[1]benzothieno[2,3-d]pyrimidin-4(3h)-one, 3-amino-5,6,7,8-tetrahydro-2-(methylamino)-

Structural Information

Molecular Formula
C11H14N4OS
SMILES
CNC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N
InChI
InChI=1S/C11H14N4OS/c1-13-11-14-9-8(10(16)15(11)12)6-4-2-3-5-7(6)17-9/h2-5,12H2,1H3,(H,13,14)
InChIKey
NVBANZWINGAWAX-UHFFFAOYSA-N
Compound name
3-amino-2-(methylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08884 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09612 150.3
[M+Na]+ 273.07806 161.3
[M-H]- 249.08156 153.5
[M+NH4]+ 268.12266 169.3
[M+K]+ 289.05200 156.2
[M+H-H2O]+ 233.08610 143.8
[M+HCOO]- 295.08704 167.4
[M+CH3COO]- 309.10269 162.8
[M+Na-2H]- 271.06351 155.0
[M]+ 250.08829 151.6
[M]- 250.08939 151.6
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.