CID 3258072

7,11-diphenyl-3,9-dithioxo-2,4,8,10-tetraazaspiro[5.5]undecane-1,5-dione

Structural Information

Molecular Formula
C19H16N4O2S2
SMILES
C1=CC=C(C=C1)C2C3(C(NC(=S)N2)C4=CC=CC=C4)C(=O)NC(=S)NC3=O
InChI
InChI=1S/C19H16N4O2S2/c24-15-19(16(25)23-18(27)22-15)13(11-7-3-1-4-8-11)20-17(26)21-14(19)12-9-5-2-6-10-12/h1-10,13-14H,(H2,20,21,26)(H2,22,23,24,25,27)
InChIKey
UPVOZJUUXROJCG-UHFFFAOYSA-N
Compound name
7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

396.07147 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.078746 188.2
[M+Na]+ 419.060688 195.1
[M-H]- 395.064194 187.9
[M+NH4]+ 414.105293 193.8
[M+K]+ 435.034628 183.0
[M+H-H2O]+ 379.068730 180.1
[M+HCOO]- 441.069671 185.4
[M+CH3COO]- 455.085321 193.0
[M+Na-2H]- 417.046136 186.9
[M]+ 396.07092142 177.5
[M]- 396.07201858 177.5
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.