CID 215007

Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate

Structural Information

Molecular Formula
C17H19ClN2S2
SMILES
CCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H19ClN2S2/c1-2-3-11-21-17(20-16-5-4-10-19-12-16)22-13-14-6-8-15(18)9-7-14/h4-10,12H,2-3,11,13H2,1H3
InChIKey
RBIVAOYXFGTUBH-UHFFFAOYSA-N
Compound name
1-butylsulfanyl-1-[(4-chlorophenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0678 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07508 176.1
[M+Na]+ 373.05702 183.3
[M-H]- 349.06052 181.9
[M+NH4]+ 368.10162 190.1
[M+K]+ 389.03096 175.3
[M+H-H2O]+ 333.06506 168.3
[M+HCOO]- 395.06600 184.6
[M+CH3COO]- 409.08165 211.6
[M+Na-2H]- 371.04247 176.6
[M]+ 350.06725 181.5
[M]- 350.06835 181.5
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.