CID 6480845

7,9-bis(4-chlorophenyl)-8,10-dimethyl-1,3,4,8-tetrazaspiro[4.5]decane-2-thione

Structural Information

Molecular Formula
C20H22Cl2N4S
SMILES
CC1C(N(C(CC12NC(=S)NN2)C3=CC=C(C=C3)Cl)C)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H22Cl2N4S/c1-12-18(14-5-9-16(22)10-6-14)26(2)17(13-3-7-15(21)8-4-13)11-20(12)23-19(27)24-25-20/h3-10,12,17-18,25H,11H2,1-2H3,(H2,23,24,27)
InChIKey
VSCFERRGULCKGW-UHFFFAOYSA-N
Compound name
7,9-bis(4-chlorophenyl)-6,8-dimethyl-1,2,4,8-tetrazaspiro[4.5]decane-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.09424 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.10152 195.7
[M+Na]+ 443.08346 204.6
[M-H]- 419.08696 197.6
[M+NH4]+ 438.12806 205.0
[M+K]+ 459.05740 193.6
[M+H-H2O]+ 403.09150 187.1
[M+HCOO]- 465.09244 190.7
[M+CH3COO]- 479.10809 201.8
[M+Na-2H]- 441.06891 190.2
[M]+ 420.09369 190.7
[M]- 420.09479 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.