CID 169847

37021-14-0

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CCN1C(=O)CN(C1=S)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2OS/c1-2-12-10(14)8-13(11(12)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
UYPCZQJGNPASBR-UHFFFAOYSA-N
Compound name
3-ethyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

60
Patents

220.06703 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 147.7
[M+Na]+ 243.05625 157.5
[M-H]- 219.05975 152.4
[M+NH4]+ 238.10085 166.3
[M+K]+ 259.03019 153.3
[M+H-H2O]+ 203.06429 140.7
[M+HCOO]- 265.06523 164.0
[M+CH3COO]- 279.08088 186.5
[M+Na-2H]- 241.04170 147.3
[M]+ 220.06648 148.4
[M]- 220.06758 148.4
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.