CID 6483677

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

Structural Information

Molecular Formula
C21H26N4S
SMILES
CC1=CC=C(C=C1)C2CC3(CC(N2C)C4=CC=C(C=C4)C)NC(=S)NN3
InChI
InChI=1S/C21H26N4S/c1-14-4-8-16(9-5-14)18-12-21(22-20(26)23-24-21)13-19(25(18)3)17-10-6-15(2)7-11-17/h4-11,18-19,24H,12-13H2,1-3H3,(H2,22,23,26)
InChIKey
YDUWZOGRKYTHFM-UHFFFAOYSA-N
Compound name
8-methyl-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

366.1878 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19508 189.9
[M+Na]+ 389.17702 197.2
[M-H]- 365.18052 192.4
[M+NH4]+ 384.22162 199.8
[M+K]+ 405.15096 187.2
[M+H-H2O]+ 349.18506 180.6
[M+HCOO]- 411.18600 194.2
[M+CH3COO]- 425.20165 196.6
[M+Na-2H]- 387.16247 185.6
[M]+ 366.18725 181.9
[M]- 366.18835 181.9
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.