CID 3075575

186424-13-5

Structural Information

Molecular Formula
C12H16N2S
SMILES
CCN1C(CNC1=S)C2=CC=C(C=C2)C
InChI
InChI=1S/C12H16N2S/c1-3-14-11(8-13-12(14)15)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3,(H,13,15)
InChIKey
YDXUEDMPRVGCRM-UHFFFAOYSA-N
Compound name
1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.10342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.110696 149.7
[M+Na]+ 243.092638 158.5
[M-H]- 219.096144 152.8
[M+NH4]+ 238.137243 167.8
[M+K]+ 259.066578 153.2
[M+H-H2O]+ 203.100680 142.9
[M+HCOO]- 265.101621 163.8
[M+CH3COO]- 279.117271 161.5
[M+Na-2H]- 241.078086 148.3
[M]+ 220.10287142 148.2
[M]- 220.10396858 148.2
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.