CID 89487319

1429639-82-6

Structural Information

Molecular Formula

C₇H₆Cl₂N₂O₂S

SMILES

CC1C2=C(CS1(=O)=O)C(=NC(=N2)Cl)Cl

InChI

InChI=1S/C7H6Cl2N2O2S/c1-3-5-4(2-14(3,12)13)6(8)11-7(9)10-5/h3H,2H2,1H3

InChIKey

QSLVSKKWSJSWMO-UHFFFAOYSA-N

Compound name

2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 251.9527 Da
Monoisotopic Mass: 1.3
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]+	252.959976	143.2
[M+Na]+	274.941918	157.7
[M-H]-	250.945424	146.2
[M+NH4]+	269.986523	165.2
[M+K]+	290.915858	152.5
[M+H-H2O]+	234.949960	139.8
[M+HCOO]-	296.950901	151.0
[M+CH3COO]-	310.966551	157.1
[M+Na-2H]-	272.927366	146.4
[M]+	251.95215142	149.7
[M]-	251.95324858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe