CID 3008036

2-dimethylaminoethyl n-[(4-chlorophenyl)methyl]carbamodithioate

Structural Information

Molecular Formula
C12H17ClN2S2
SMILES
CN(C)CCSC(=S)NCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H17ClN2S2/c1-15(2)7-8-17-12(16)14-9-10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3,(H,14,16)
InChIKey
MFQXDTQTFPIFLO-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.05215 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05943 161.3
[M+Na]+ 311.04137 167.3
[M-H]- 287.04487 165.5
[M+NH4]+ 306.08597 178.6
[M+K]+ 327.01531 161.3
[M+H-H2O]+ 271.04941 155.1
[M+HCOO]- 333.05035 170.4
[M+CH3COO]- 347.06600 205.2
[M+Na-2H]- 309.02682 160.7
[M]+ 288.05160 165.4
[M]- 288.05270 165.4
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.