CID 16227942

Trimethylthieno[2,3-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)O
InChI
InChI=1S/C10H10N2O2S/c1-4-7-5(2)11-6(3)12-9(7)15-8(4)10(13)14/h1-3H3,(H,13,14)
InChIKey
AIJMJWLEFKZSRF-UHFFFAOYSA-N
Compound name
2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 145.0
[M+Na]+ 245.03552 157.9
[M-H]- 221.03902 147.6
[M+NH4]+ 240.08012 164.7
[M+K]+ 261.00946 154.0
[M+H-H2O]+ 205.04356 139.6
[M+HCOO]- 267.04450 161.8
[M+CH3COO]- 281.06015 186.8
[M+Na-2H]- 243.02097 146.8
[M]+ 222.04575 151.1
[M]- 222.04685 151.1
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

No patent data available for this compound.