CID 3038359

34763-34-3

Structural Information

Molecular Formula
C20H16Cl2N2S2
SMILES
CC(C1=CC=C(C=C1)Cl)(C2=CC=CC=C2Cl)SC(=S)NC3=CN=CC=C3
InChI
InChI=1S/C20H16Cl2N2S2/c1-20(14-8-10-15(21)11-9-14,17-6-2-3-7-18(17)22)26-19(25)24-16-5-4-12-23-13-16/h2-13H,1H3,(H,24,25)
InChIKey
FPEVEHXWZAEHRI-UHFFFAOYSA-N
Compound name
[1-(2-chlorophenyl)-1-(4-chlorophenyl)ethyl] N-pyridin-3-ylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.01318 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.02046 189.4
[M+Na]+ 441.00240 197.6
[M-H]- 417.00590 196.8
[M+NH4]+ 436.04700 200.3
[M+K]+ 456.97634 187.7
[M+H-H2O]+ 401.01044 182.2
[M+HCOO]- 463.01138 190.9
[M+CH3COO]- 477.02703 198.0
[M+Na-2H]- 438.98785 190.7
[M]+ 418.01263 193.0
[M]- 418.01373 193.0
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.