CID 66489209

Potassium (5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanide

Structural Information

Molecular Formula
C8H8N2OS
SMILES
C1CC2=C(C=NC(=S)N2)C(=O)C1
InChI
InChI=1S/C8H8N2OS/c11-7-3-1-2-6-5(7)4-9-8(12)10-6/h4H,1-3H2,(H,9,10,12)
InChIKey
CYVIVKGDUWZECV-UHFFFAOYSA-N
Compound name
2-sulfanylidene-1,6,7,8-tetrahydroquinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.03574 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 133.6
[M+Na]+ 203.02496 143.2
[M-H]- 179.02846 134.3
[M+NH4]+ 198.06956 152.2
[M+K]+ 218.99890 138.4
[M+H-H2O]+ 163.03300 127.4
[M+HCOO]- 225.03394 146.9
[M+CH3COO]- 239.04959 146.0
[M+Na-2H]- 201.01041 138.6
[M]+ 180.03519 131.5
[M]- 180.03629 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.