CID 3008038

2-dimethylaminoethyl n-[(2,6-dichlorophenyl)methyl]carbamodithioate

Structural Information

Molecular Formula
C12H16Cl2N2S2
SMILES
CN(C)CCSC(=S)NCC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C12H16Cl2N2S2/c1-16(2)6-7-18-12(17)15-8-9-10(13)4-3-5-11(9)14/h3-5H,6-8H2,1-2H3,(H,15,17)
InChIKey
IZVJTCJHQOGBRB-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-[(2,6-dichlorophenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.01318 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.02046 166.2
[M+Na]+ 345.00240 173.1
[M-H]- 321.00590 170.4
[M+NH4]+ 340.04700 182.9
[M+K]+ 360.97634 166.1
[M+H-H2O]+ 305.01044 161.5
[M+HCOO]- 367.01138 170.5
[M+CH3COO]- 381.02703 210.4
[M+Na-2H]- 342.98785 164.5
[M]+ 322.01263 171.6
[M]- 322.01373 171.6
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.