CID 494330

1,3-dibenzyltetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one 5,5-dioxide

Structural Information

Molecular Formula
C19H20N2O3S
SMILES
C1C2C(CS1(=O)=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C19H20N2O3S/c22-19-20(11-15-7-3-1-4-8-15)17-13-25(23,24)14-18(17)21(19)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
VICDXHSIMZZPLY-UHFFFAOYSA-N
Compound name
1,3-dibenzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

356.11948 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12676 183.3
[M+Na]+ 379.10870 193.0
[M-H]- 355.11220 192.1
[M+NH4]+ 374.15330 200.7
[M+K]+ 395.08264 187.5
[M+H-H2O]+ 339.11674 175.9
[M+HCOO]- 401.11768 198.5
[M+CH3COO]- 415.13333 194.4
[M+Na-2H]- 377.09415 181.5
[M]+ 356.11893 185.7
[M]- 356.12003 185.7
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

patents stripe