CID 16227975

5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C9H9N3O2S
SMILES
CC1=C2C(=C(SC2=NC(=N1)C)C(=O)O)N
InChI
InChI=1S/C9H9N3O2S/c1-3-5-6(10)7(9(13)14)15-8(5)12-4(2)11-3/h10H2,1-2H3,(H,13,14)
InChIKey
YJCJUTDJTHKSJL-UHFFFAOYSA-N
Compound name
5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

223.04155 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.048826 145.2
[M+Na]+ 246.030768 157.5
[M-H]- 222.034274 147.2
[M+NH4]+ 241.075373 164.0
[M+K]+ 262.004708 153.3
[M+H-H2O]+ 206.038810 139.5
[M+HCOO]- 268.039751 162.5
[M+CH3COO]- 282.055401 188.2
[M+Na-2H]- 244.016216 147.1
[M]+ 223.04100142 149.1
[M]- 223.04209858 149.1
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