CID 1488634

189057-68-9

Structural Information

Molecular Formula
C11H10N2OS2
SMILES
C1=CC=C(C=C1)SCC2=CC(=O)NC(=S)N2
InChI
InChI=1S/C11H10N2OS2/c14-10-6-8(12-11(15)13-10)7-16-9-4-2-1-3-5-9/h1-6H,7H2,(H2,12,13,14,15)
InChIKey
VNTBGGWDZYETPH-UHFFFAOYSA-N
Compound name
6-(phenylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

250.02345 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03073 148.6
[M+Na]+ 273.01267 158.7
[M-H]- 249.01617 150.2
[M+NH4]+ 268.05727 162.7
[M+K]+ 288.98661 149.9
[M+H-H2O]+ 233.02071 141.9
[M+HCOO]- 295.02165 158.4
[M+CH3COO]- 309.03730 159.5
[M+Na-2H]- 270.99812 150.7
[M]+ 250.02290 147.7
[M]- 250.02400 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.