CID 6480843

1,2,4,8-tetraazaspiro[4.5]decane-3-thione, 6,8-dimethyl-7,9-bis(4-methylphenyl)-

Structural Information

Molecular Formula
C22H28N4S
SMILES
CC1C(N(C(CC12NC(=S)NN2)C3=CC=C(C=C3)C)C)C4=CC=C(C=C4)C
InChI
InChI=1S/C22H28N4S/c1-14-5-9-17(10-6-14)19-13-22(23-21(27)24-25-22)16(3)20(26(19)4)18-11-7-15(2)8-12-18/h5-12,16,19-20,25H,13H2,1-4H3,(H2,23,24,27)
InChIKey
WLUFDTJVVJJERG-UHFFFAOYSA-N
Compound name
6,8-dimethyl-7,9-bis(4-methylphenyl)-1,2,4,8-tetrazaspiro[4.5]decane-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.20346 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21074 194.4
[M+Na]+ 403.19268 202.1
[M-H]- 379.19618 197.0
[M+NH4]+ 398.23728 204.0
[M+K]+ 419.16662 191.9
[M+H-H2O]+ 363.20072 185.2
[M+HCOO]- 425.20166 198.3
[M+CH3COO]- 439.21731 200.9
[M+Na-2H]- 401.17813 188.9
[M]+ 380.20291 187.1
[M]- 380.20401 187.1
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.