CID 6480847

7,9-bis(4-methoxyphenyl)-8,10-dimethyl-1,3,4,8-tetrazaspiro[4.5]decane-2-thione

Structural Information

Molecular Formula
C22H28N4O2S
SMILES
CC1C(N(C(CC12NC(=S)NN2)C3=CC=C(C=C3)OC)C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H28N4O2S/c1-14-20(16-7-11-18(28-4)12-8-16)26(2)19(13-22(14)23-21(29)24-25-22)15-5-9-17(27-3)10-6-15/h5-12,14,19-20,25H,13H2,1-4H3,(H2,23,24,29)
InChIKey
ZXYGFONWSRFWBI-UHFFFAOYSA-N
Compound name
7,9-bis(4-methoxyphenyl)-6,8-dimethyl-1,2,4,8-tetrazaspiro[4.5]decane-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.1933 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20058 200.4
[M+Na]+ 435.18252 207.3
[M-H]- 411.18602 202.9
[M+NH4]+ 430.22712 208.4
[M+K]+ 451.15646 198.6
[M+H-H2O]+ 395.19056 191.0
[M+HCOO]- 457.19150 204.6
[M+CH3COO]- 471.20715 206.5
[M+Na-2H]- 433.16797 195.5
[M]+ 412.19275 195.8
[M]- 412.19385 195.8
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.