CID 6480841

8-methyl-7,9-diphenyl-1,3,4,8-tetrazaspiro[4.5]decane-2-thione

Structural Information

Molecular Formula
C19H22N4S
SMILES
CN1C(CC2(CC1C3=CC=CC=C3)NC(=S)NN2)C4=CC=CC=C4
InChI
InChI=1S/C19H22N4S/c1-23-16(14-8-4-2-5-9-14)12-19(20-18(24)21-22-19)13-17(23)15-10-6-3-7-11-15/h2-11,16-17,22H,12-13H2,1H3,(H2,20,21,24)
InChIKey
IAUQPEQDPCREGU-UHFFFAOYSA-N
Compound name
8-methyl-7,9-diphenyl-1,2,4,8-tetrazaspiro[4.5]decane-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.15652 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16380 180.7
[M+Na]+ 361.14574 187.2
[M-H]- 337.14924 182.7
[M+NH4]+ 356.19034 191.2
[M+K]+ 377.11968 177.6
[M+H-H2O]+ 321.15378 171.1
[M+HCOO]- 383.15472 185.8
[M+CH3COO]- 397.17037 187.6
[M+Na-2H]- 359.13119 178.7
[M]+ 338.15597 171.2
[M]- 338.15707 171.2
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.