CID 135421655

6-(4-methoxyphenyl)-3h,4h-thieno[3,2-d]pyrimidin-4-one

Structural Information

Molecular Formula
C13H10N2O2S
SMILES
COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)NC=N3
InChI
InChI=1S/C13H10N2O2S/c1-17-9-4-2-8(3-5-9)11-6-10-12(18-11)13(16)15-7-14-10/h2-7H,1H3,(H,14,15,16)
InChIKey
YLBLDEDUUJNEOU-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

14
Patents

258.0463 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05358 154.3
[M+Na]+ 281.03552 170.1
[M+NH4]+ 276.08012 163.0
[M+K]+ 297.00946 162.3
[M-H]- 257.03902 157.9
[M+Na-2H]- 279.02097 162.6
[M]+ 258.04575 158.1
[M]- 258.04685 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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