CID 215010

(4-chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate

Structural Information

Molecular Formula
C19H23ClN2S2
SMILES
CCCCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H23ClN2S2/c1-2-3-4-5-13-23-19(22-18-7-6-12-21-14-18)24-15-16-8-10-17(20)11-9-16/h6-12,14H,2-5,13,15H2,1H3
InChIKey
ZVQFZXSPOXFKDW-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methylsulfanyl]-1-hexylsulfanyl-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.09912 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10640 184.3
[M+Na]+ 401.08834 190.7
[M-H]- 377.09184 189.7
[M+NH4]+ 396.13294 197.1
[M+K]+ 417.06228 182.2
[M+H-H2O]+ 361.09638 176.1
[M+HCOO]- 423.09732 192.2
[M+CH3COO]- 437.11297 217.4
[M+Na-2H]- 399.07379 183.9
[M]+ 378.09857 190.3
[M]- 378.09967 190.3
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.