CID 6480846

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

Structural Information

Molecular Formula
C21H26N4O2S
SMILES
CN1C(CC2(CC1C3=CC=C(C=C3)OC)NC(=S)NN2)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H26N4O2S/c1-25-18(14-4-8-16(26-2)9-5-14)12-21(22-20(28)23-24-21)13-19(25)15-6-10-17(27-3)11-7-15/h4-11,18-19,24H,12-13H2,1-3H3,(H2,22,23,28)
InChIKey
CDOWYEHZOOTTBA-UHFFFAOYSA-N
Compound name
7,9-bis(4-methoxyphenyl)-8-methyl-1,2,4,8-tetrazaspiro[4.5]decane-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.17764 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18492 195.8
[M+Na]+ 421.16686 202.4
[M-H]- 397.17036 198.2
[M+NH4]+ 416.21146 204.1
[M+K]+ 437.14080 193.8
[M+H-H2O]+ 381.17490 186.3
[M+HCOO]- 443.17584 200.4
[M+CH3COO]- 457.19149 202.0
[M+Na-2H]- 419.15231 192.1
[M]+ 398.17709 190.5
[M]- 398.17819 190.5
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.