CID 2049164

16310-60-4

Structural Information

Molecular Formula
C3H4N2OS
SMILES
C1C(=S)NC(=O)N1
InChI
InChI=1S/C3H4N2OS/c6-3-4-1-2(7)5-3/h1H2,(H2,4,5,6,7)
InChIKey
DNPNXLYNSXZPGM-UHFFFAOYSA-N
Compound name
4-sulfanylideneimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

525
Patents

116.00443 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.01171 122.8
[M+Na]+ 138.99365 131.9
[M+NH4]+ 134.03825 130.3
[M+K]+ 154.96759 127.2
[M-H]- 114.99715 121.5
[M+Na-2H]- 136.97910 125.0
[M]+ 116.00388 123.7
[M]- 116.00498 123.7
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

patents stripe