CID 3008040

2-(4-methylpiperazin-1-yl)ethyl n-[(3,4-dichlorophenyl)methyl]carbamodithioate

Structural Information

Molecular Formula
C15H21Cl2N3S2
SMILES
CN1CCN(CC1)CCSC(=S)NCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H21Cl2N3S2/c1-19-4-6-20(7-5-19)8-9-22-15(21)18-11-12-2-3-13(16)14(17)10-12/h2-3,10H,4-9,11H2,1H3,(H,18,21)
InChIKey
IRAMKBQQDQZNDU-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethyl N-[(3,4-dichlorophenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.0554 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.06268 178.0
[M+Na]+ 400.04462 183.9
[M-H]- 376.04812 180.3
[M+NH4]+ 395.08922 189.5
[M+K]+ 416.01856 175.7
[M+H-H2O]+ 360.05266 171.5
[M+HCOO]- 422.05360 175.3
[M+CH3COO]- 436.06925 213.9
[M+Na-2H]- 398.03007 174.7
[M]+ 377.05485 179.0
[M]- 377.05595 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.