CID 16227905

929973-78-4

Structural Information

Molecular Formula
C13H10N2O3S
SMILES
CC1=C(SC2=NC(=NC(=C12)C)C3=CC=CO3)C(=O)O
InChI
InChI=1S/C13H10N2O3S/c1-6-9-7(2)14-11(8-4-3-5-18-8)15-12(9)19-10(6)13(16)17/h3-5H,1-2H3,(H,16,17)
InChIKey
PQYPWFCTXVLMOM-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0412 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04848 158.8
[M+Na]+ 297.03042 171.9
[M-H]- 273.03392 165.9
[M+NH4]+ 292.07502 176.6
[M+K]+ 313.00436 168.9
[M+H-H2O]+ 257.03846 153.6
[M+HCOO]- 319.03940 176.6
[M+CH3COO]- 333.05505 172.7
[M+Na-2H]- 295.01587 159.4
[M]+ 274.04065 166.6
[M]- 274.04175 166.6
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.