CID 215012

(4-chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate

Structural Information

Molecular Formula
C20H25ClN2S2
SMILES
CCCCCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H25ClN2S2/c1-2-3-4-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(21)12-10-17/h7-13,15H,2-6,14,16H2,1H3
InChIKey
RMYOYRRUUOHOHS-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methylsulfanyl]-1-heptylsulfanyl-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.11478 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12206 188.4
[M+Na]+ 415.10400 194.3
[M-H]- 391.10750 193.6
[M+NH4]+ 410.14860 200.6
[M+K]+ 431.07794 185.6
[M+H-H2O]+ 375.11204 179.9
[M+HCOO]- 437.11298 196.0
[M+CH3COO]- 451.12863 220.2
[M+Na-2H]- 413.08945 187.5
[M]+ 392.11423 194.7
[M]- 392.11533 194.7
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.