CID 203632

Brn 5411459

Structural Information

Molecular Formula
C19H18N2O3S
SMILES
C1C2(CN3CC(C2=O)(CN1S3(=O)=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C19H18N2O3S/c22-17-18(15-7-3-1-4-8-15)11-20-13-19(17,16-9-5-2-6-10-16)14-21(12-18)25(20,23)24/h1-10H,11-14H2
InChIKey
RNAVDPQNWXCBBL-UHFFFAOYSA-N
Compound name
2,2-dioxo-5,7-diphenyl-2lambda6-thia-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.10382 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11110 174.3
[M+Na]+ 377.09304 180.4
[M-H]- 353.09654 173.1
[M+NH4]+ 372.13764 194.9
[M+K]+ 393.06698 175.8
[M+H-H2O]+ 337.10108 162.2
[M+HCOO]- 399.10202 176.2
[M+CH3COO]- 413.11767 181.7
[M+Na-2H]- 375.07849 187.2
[M]+ 354.10327 178.9
[M]- 354.10437 178.9
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.