CID 3008034

[3-(dimethylamino)-2-methyl-propyl] n-[(2-chlorophenyl)methyl]carbamodithioate

Structural Information

Molecular Formula
C14H21ClN2S2
SMILES
CC(CN(C)C)CSC(=S)NCC1=CC=CC=C1Cl
InChI
InChI=1S/C14H21ClN2S2/c1-11(9-17(2)3)10-19-14(18)16-8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKey
WPZSPCPBUXCNME-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-2-methylpropyl] N-[(2-chlorophenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.08347 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09075 169.8
[M+Na]+ 339.07269 174.6
[M-H]- 315.07619 173.7
[M+NH4]+ 334.11729 185.9
[M+K]+ 355.04663 168.7
[M+H-H2O]+ 299.08073 163.4
[M+HCOO]- 361.08167 177.2
[M+CH3COO]- 375.09732 211.8
[M+Na-2H]- 337.05814 167.4
[M]+ 316.08292 174.1
[M]- 316.08402 174.1
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.