CID 3057431

(5-p-dimethylaminophenyl)dithiohydantoin

Structural Information

Molecular Formula
C11H13N3S2
SMILES
CN(C)C1=CC=C(C=C1)C2C(=S)NC(=S)N2
InChI
InChI=1S/C11H13N3S2/c1-14(2)8-5-3-7(4-6-8)9-10(15)13-11(16)12-9/h3-6,9H,1-2H3,(H2,12,13,15,16)
InChIKey
IPPWJQSQJCKDBT-UHFFFAOYSA-N
Compound name
5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05508 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.062356 153.4
[M+Na]+ 274.044298 161.9
[M-H]- 250.047804 156.3
[M+NH4]+ 269.088903 169.9
[M+K]+ 290.018238 155.2
[M+H-H2O]+ 234.052340 147.0
[M+HCOO]- 296.053281 162.3
[M+CH3COO]- 310.068931 164.1
[M+Na-2H]- 272.029746 150.4
[M]+ 251.05453142 150.6
[M]- 251.05562858 150.6
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.