CID 51394

Brn 3423688

Structural Information

Molecular Formula
C17H20Cl2N2S
SMILES
CN(C)CCCNC1=C(C=CC(=C1)Cl)SC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H20Cl2N2S/c1-21(2)11-3-10-20-16-12-14(19)6-9-17(16)22-15-7-4-13(18)5-8-15/h4-9,12,20H,3,10-11H2,1-2H3
InChIKey
FYXWZPXYNLADNU-UHFFFAOYSA-N
Compound name
N-[5-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 179.7
[M+Na]+ 377.06164 187.3
[M-H]- 353.06514 186.9
[M+NH4]+ 372.10624 195.0
[M+K]+ 393.03558 180.1
[M+H-H2O]+ 337.06968 173.1
[M+HCOO]- 399.07062 190.6
[M+CH3COO]- 413.08627 218.8
[M+Na-2H]- 375.04709 180.1
[M]+ 354.07187 186.3
[M]- 354.07297 186.3
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.