CID 383269

Nsc671383

Structural Information

Molecular Formula
C19H20N2O2S
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=O)N(C4=S)C5=CC=CC=C5
InChI
InChI=1S/C19H20N2O2S/c22-16-17(23)21(18(24)20(16)15-4-2-1-3-5-15)19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14H,6-11H2
InChIKey
GVIHDHCLWDSPAH-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-phenyl-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.12454 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13182 173.0
[M+Na]+ 363.11376 176.9
[M-H]- 339.11726 171.4
[M+NH4]+ 358.15836 192.9
[M+K]+ 379.08770 171.9
[M+H-H2O]+ 323.12180 164.9
[M+HCOO]- 385.12274 172.9
[M+CH3COO]- 399.13839 180.0
[M+Na-2H]- 361.09921 177.3
[M]+ 340.12399 174.4
[M]- 340.12509 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.