CID 6480842

8,10-dimethyl-7,9-diphenyl-1,3,4,8-tetrazaspiro[4.5]decane-2-thione

Structural Information

Molecular Formula
C20H24N4S
SMILES
CC1C(N(C(CC12NC(=S)NN2)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C20H24N4S/c1-14-18(16-11-7-4-8-12-16)24(2)17(15-9-5-3-6-10-15)13-20(14)21-19(25)22-23-20/h3-12,14,17-18,23H,13H2,1-2H3,(H2,21,22,25)
InChIKey
CETJLWITKUEGHX-UHFFFAOYSA-N
Compound name
6,8-dimethyl-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

352.17218 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17946 185.3
[M+Na]+ 375.16140 192.3
[M-H]- 351.16490 187.6
[M+NH4]+ 370.20600 195.6
[M+K]+ 391.13534 182.5
[M+H-H2O]+ 335.16944 175.9
[M+HCOO]- 397.17038 190.1
[M+CH3COO]- 411.18603 192.1
[M+Na-2H]- 373.14685 182.2
[M]+ 352.17163 176.6
[M]- 352.17273 176.6
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.