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 149.8
[M+Na]+ 273.01267 163.8
[M+NH4]+ 268.05727 158.0
[M+K]+ 288.98661 152.8
[M-H]- 249.01617 152.8
[M+Na-2H]- 270.99812 157.1
[M]+ 250.02290 153.6
[M]- 250.02400 153.6
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.