CID 84022420

2-amino-5-methylthieno[2,3-d]pyrimidin-4(1h)-one

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CC1=CSC2=C1C(=O)NC(=N2)N
InChI
InChI=1S/C7H7N3OS/c1-3-2-12-6-4(3)5(11)9-7(8)10-6/h2H,1H3,(H3,8,9,10,11)
InChIKey
LANXHIADXJLQQS-UHFFFAOYSA-N
Compound name
2-amino-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

181.03099 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.038266 132.7
[M+Na]+ 204.020208 145.8
[M-H]- 180.023714 134.7
[M+NH4]+ 199.064813 153.3
[M+K]+ 219.994148 140.9
[M+H-H2O]+ 164.028250 127.2
[M+HCOO]- 226.029191 151.7
[M+CH3COO]- 240.044841 147.0
[M+Na-2H]- 202.005656 137.3
[M]+ 181.03044142 134.9
[M]- 181.03153858 134.9
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

patents stripe