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: 74
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	130.1
[M+Na]+	193.00422	141.2
[M-H]-	169.00772	130.3
[M+NH4]+	188.04882	150.4
[M+K]+	208.97816	136.7
[M+H-H2O]+	153.01226	125.1
[M+HCOO]-	215.01320	145.1
[M+CH3COO]-	229.02885	143.4
[M+Na-2H]-	190.98967	134.0
[M]+	170.01445	129.3
[M]-	170.01555	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe