CID 3061506

Brn 4729495

Structural Information

Molecular Formula
C29H25Cl4NS2
SMILES
CN(C)CC(CC1=C(C(=CC(=C1)Cl)Cl)SC2=CC=CC=C2)C3=C(C(=CC(=C3)Cl)Cl)SC4=CC=CC=C4
InChI
InChI=1S/C29H25Cl4NS2/c1-34(2)18-20(25-15-22(31)17-27(33)29(25)36-24-11-7-4-8-12-24)13-19-14-21(30)16-26(32)28(19)35-23-9-5-3-6-10-23/h3-12,14-17,20H,13,18H2,1-2H3
InChIKey
QBPCLLNRSMIFBK-UHFFFAOYSA-N
Compound name
2,3-bis(3,5-dichloro-2-phenylsulfanylphenyl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.01825 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.02553 222.0
[M+Na]+ 614.00747 229.1
[M-H]- 590.01097 231.3
[M+NH4]+ 609.05207 228.4
[M+K]+ 629.98141 220.4
[M+H-H2O]+ 574.01551 214.7
[M+HCOO]- 636.01645 215.0
[M+CH3COO]- 650.03210 227.6
[M+Na-2H]- 611.99292 216.5
[M]+ 591.01770 230.1
[M]- 591.01880 230.1
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

patents stripe