CID 5090721

4-imidazolidinone, 1-phenyl-2-thioxo-

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1C(=O)NC(=S)N1C2=CC=CC=C2
InChI
InChI=1S/C9H8N2OS/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)
InChIKey
PQMRRAQXKWFYQN-UHFFFAOYSA-N
Compound name
1-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3814
Patents

192.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.043016 139.7
[M+Na]+ 215.024958 149.1
[M-H]- 191.028464 143.0
[M+NH4]+ 210.069563 158.4
[M+K]+ 230.998898 144.4
[M+H-H2O]+ 175.033000 133.1
[M+HCOO]- 237.033941 155.2
[M+CH3COO]- 251.049591 152.3
[M+Na-2H]- 213.010406 140.5
[M]+ 192.03519142 137.4
[M]- 192.03628858 137.4
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

patents stripe