CID 3038357

34763-27-4

Structural Information

Molecular Formula
C19H23ClN2S2
SMILES
CCC(C)(C(C)CC1=CC=C(C=C1)Cl)SC(=S)NC2=CN=CC=C2
InChI
InChI=1S/C19H23ClN2S2/c1-4-19(3,14(2)12-15-7-9-16(20)10-8-15)24-18(23)22-17-6-5-11-21-13-17/h5-11,13-14H,4,12H2,1-3H3,(H,22,23)
InChIKey
LZSNGWCLMSBHBZ-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)-2,3-dimethylpentan-3-yl] N-pyridin-3-ylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.09912 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10640 184.7
[M+Na]+ 401.08834 190.4
[M-H]- 377.09184 189.0
[M+NH4]+ 396.13294 196.7
[M+K]+ 417.06228 182.1
[M+H-H2O]+ 361.09638 177.4
[M+HCOO]- 423.09732 188.7
[M+CH3COO]- 437.11297 216.7
[M+Na-2H]- 399.07379 184.1
[M]+ 378.09857 188.1
[M]- 378.09967 188.1
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.