CID 392715

Nsc693433

Structural Information

Molecular Formula
C19H20N2OS
SMILES
C1C2C(CS1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C19H20N2OS/c22-19-20(11-15-7-3-1-4-8-15)17-13-23-14-18(17)21(19)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
XOBCWQNPTJKLRJ-UHFFFAOYSA-N
Compound name
1,3-dibenzyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.12964 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13692 177.2
[M+Na]+ 347.11886 185.2
[M-H]- 323.12236 185.4
[M+NH4]+ 342.16346 193.9
[M+K]+ 363.09280 179.4
[M+H-H2O]+ 307.12690 169.3
[M+HCOO]- 369.12784 191.8
[M+CH3COO]- 383.14349 187.9
[M+Na-2H]- 345.10431 174.3
[M]+ 324.12909 177.5
[M]- 324.13019 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

patents stripe