CID 2132980

3-amino-2-ethyl-3h,4h-thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CCC1=NC2=C(C=CS2)C(=O)N1N
InChI
InChI=1S/C8H9N3OS/c1-2-6-10-7-5(3-4-13-7)8(12)11(6)9/h3-4H,2,9H2,1H3
InChIKey
KBPZSKCVIHKZRG-UHFFFAOYSA-N
Compound name
3-amino-2-ethylthieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

195.04663 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05391 137.0
[M+Na]+ 218.03585 150.0
[M-H]- 194.03935 140.2
[M+NH4]+ 213.08045 157.7
[M+K]+ 234.00979 145.8
[M+H-H2O]+ 178.04389 130.9
[M+HCOO]- 240.04483 157.1
[M+CH3COO]- 254.06048 151.5
[M+Na-2H]- 216.02130 141.4
[M]+ 195.04608 141.2
[M]- 195.04718 141.2
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