CID 215018

Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate

Structural Information

Molecular Formula
C17H18Cl2N2S2
SMILES
CCCCC1=C(C=CC=N1)N=C(SC)SC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H18Cl2N2S2/c1-3-4-6-15-16(7-5-10-20-15)21-17(22-2)23-12-8-9-13(18)14(19)11-12/h5,7-11H,3-4,6H2,1-2H3
InChIKey
LRXGSIOYNNHCPZ-UHFFFAOYSA-N
Compound name
N-(2-butyl-3-pyridinyl)-1-(3,4-dichlorophenyl)sulfanyl-1-methylsulfanylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.02884 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.03612 180.9
[M+Na]+ 407.01806 189.7
[M-H]- 383.02156 186.9
[M+NH4]+ 402.06266 194.5
[M+K]+ 422.99200 181.0
[M+H-H2O]+ 367.02610 174.3
[M+HCOO]- 429.02704 184.4
[M+CH3COO]- 443.04269 217.8
[M+Na-2H]- 405.00351 179.5
[M]+ 384.02829 188.0
[M]- 384.02939 188.0
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.