CID 58909

101831-51-0

Structural Information

Molecular Formula
C17H20Cl2N2S
SMILES
CN(C)CCCNC1=C(C=C(C=C1)Cl)SC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H20Cl2N2S/c1-21(2)11-3-10-20-16-9-6-14(19)12-17(16)22-15-7-4-13(18)5-8-15/h4-9,12,20H,3,10-11H2,1-2H3
InChIKey
QFLBCCLYQXTVSF-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.07242 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07970 182.8
[M+Na]+ 377.06164 197.5
[M+NH4]+ 372.10624 192.6
[M+K]+ 393.03558 185.2
[M-H]- 353.06514 189.5
[M+Na-2H]- 375.04709 191.6
[M]+ 354.07187 188.1
[M]- 354.07297 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.