CID 405890

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

Structural Information

Molecular Formula
C8H7N3O2S
SMILES
CC1=C(SC2=NC=NC(=C12)N)C(=O)O
InChI
InChI=1S/C8H7N3O2S/c1-3-4-6(9)10-2-11-7(4)14-5(3)8(12)13/h2H,1H3,(H,12,13)(H2,9,10,11)
InChIKey
NRCXTNUAVDXQLF-UHFFFAOYSA-N
Compound name
4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.0259 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.033176 140.5
[M+Na]+ 232.015118 152.4
[M-H]- 208.018624 142.3
[M+NH4]+ 227.059723 159.6
[M+K]+ 247.989058 148.4
[M+H-H2O]+ 192.023160 134.7
[M+HCOO]- 254.024101 158.2
[M+CH3COO]- 268.039751 184.0
[M+Na-2H]- 230.000566 143.6
[M]+ 209.02535142 143.7
[M]- 209.02644858 143.7
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