CID 3073925

153804-49-0

Structural Information

Molecular Formula
C20H19NO3S
SMILES
C1CC2=C(C(=CC=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O)SC1
InChI
InChI=1S/C20H19NO3S/c22-19-15-8-1-2-9-16(15)20(23)21(19)11-5-12-24-17-10-3-6-14-7-4-13-25-18(14)17/h1-3,6,8-10H,4-5,7,11-13H2
InChIKey
NCVVRDVVZRKLEH-UHFFFAOYSA-N
Compound name
2-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

353.10855 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11583 181.5
[M+Na]+ 376.09777 194.8
[M+NH4]+ 371.14237 190.5
[M+K]+ 392.07171 185.9
[M-H]- 352.10127 185.8
[M+Na-2H]- 374.08322 186.6
[M]+ 353.10800 185.1
[M]- 353.10910 185.1
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