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

27
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

literature stripe

Patent stripe

patents stripe