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]+ 224.04883 145.2
[M+Na]+ 246.03077 157.5
[M-H]- 222.03427 147.2
[M+NH4]+ 241.07537 164.0
[M+K]+ 262.00471 153.3
[M+H-H2O]+ 206.03881 139.5
[M+HCOO]- 268.03975 162.5
[M+CH3COO]- 282.05540 188.2
[M+Na-2H]- 244.01622 147.1
[M]+ 223.04100 149.1
[M]- 223.04210 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