CID 3034497

5417-76-5

Structural Information

Molecular Formula
C11H12N2S2
SMILES
CCC1(C(=S)NC(=S)N1)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2S2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)
InChIKey
DINFSAYNFVIDQV-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenylimidazolidine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.04419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05147 148.3
[M+Na]+ 259.03341 157.7
[M-H]- 235.03691 149.8
[M+NH4]+ 254.07801 166.9
[M+K]+ 275.00735 150.3
[M+H-H2O]+ 219.04145 143.2
[M+HCOO]- 281.04239 156.1
[M+CH3COO]- 295.05804 159.3
[M+Na-2H]- 257.01886 147.4
[M]+ 236.04364 145.1
[M]- 236.04474 145.1
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.