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]+ 181.043016 133.6
[M+Na]+ 203.024958 143.2
[M-H]- 179.028464 134.3
[M+NH4]+ 198.069563 152.2
[M+K]+ 218.998898 138.4
[M+H-H2O]+ 163.033000 127.4
[M+HCOO]- 225.033941 146.9
[M+CH3COO]- 239.049591 146.0
[M+Na-2H]- 201.010406 138.6
[M]+ 180.03519142 131.5
[M]- 180.03628858 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.