CID 6480844

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

Structural Information

Molecular Formula
C19H20Cl2N4S
SMILES
CN1C(CC2(CC1C3=CC=C(C=C3)Cl)NC(=S)NN2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H20Cl2N4S/c1-25-16(12-2-6-14(20)7-3-12)10-19(22-18(26)23-24-19)11-17(25)13-4-8-15(21)9-5-13/h2-9,16-17,24H,10-11H2,1H3,(H2,22,23,26)
InChIKey
DDROTUNVRWKIPA-UHFFFAOYSA-N
Compound name
7,9-bis(4-chlorophenyl)-8-methyl-1,2,4,8-tetrazaspiro[4.5]decane-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.07858 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.08586 191.2
[M+Na]+ 429.06780 199.7
[M-H]- 405.07130 192.9
[M+NH4]+ 424.11240 200.7
[M+K]+ 445.04174 188.8
[M+H-H2O]+ 389.07584 182.4
[M+HCOO]- 451.07678 186.5
[M+CH3COO]- 465.09243 197.4
[M+Na-2H]- 427.05325 186.8
[M]+ 406.07803 185.4
[M]- 406.07913 185.4
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.