CID 10352114

5719-34-6

Structural Information

Molecular Formula

C₆H₆N₂O₂S

SMILES

C1C2=C(CS1)NC(=O)NC2=O

InChI

InChI=1S/C6H6N2O2S/c9-5-3-1-11-2-4(3)7-6(10)8-5/h1-2H2,(H2,7,8,9,10)

InChIKey

RCZJDYOOUXZORM-UHFFFAOYSA-N

Compound name

5,7-dihydro-1H-thieno[3,4-d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 170.015 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.02228	131.9
[M+Na]+	193.00422	143.3
[M+NH4]+	188.04882	139.8
[M+K]+	208.97816	138.0
[M-H]-	169.00772	131.5
[M+Na-2H]-	190.98967	135.4
[M]+	170.01445	133.6
[M]-	170.01555	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe