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]+ 397.07875 188.2
[M+Na]+ 419.06069 195.1
[M-H]- 395.06419 187.9
[M+NH4]+ 414.10529 193.8
[M+K]+ 435.03463 183.0
[M+H-H2O]+ 379.06873 180.1
[M+HCOO]- 441.06967 185.4
[M+CH3COO]- 455.08532 193.0
[M+Na-2H]- 417.04614 186.9
[M]+ 396.07092 177.5
[M]- 396.07202 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.