CID 7131024

870692-87-8

Structural Information

Molecular Formula
C15H12N2O4S
SMILES
COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N(C=N3)CC(=O)O
InChI
InChI=1S/C15H12N2O4S/c1-21-10-4-2-9(3-5-10)12-6-11-14(22-12)15(20)17(8-16-11)7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)
InChIKey
CVEMZYIRIIYTNZ-UHFFFAOYSA-N
Compound name
2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0518 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05908 169.6
[M+Na]+ 339.04102 183.9
[M+NH4]+ 334.08562 176.4
[M+K]+ 355.01496 177.7
[M-H]- 315.04452 171.7
[M+Na-2H]- 337.02647 175.9
[M]+ 316.05125 172.7
[M]- 316.05235 172.7
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

No patent data available for this compound.