CID 47644

65492-83-3

Structural Information

Molecular Formula
C18H21NO4S
SMILES
CC1C2=CC(=C(C=C2CCN1S(=O)(=O)C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C18H21NO4S/c1-13-16-12-18(23-3)17(22-2)11-14(16)9-10-19(13)24(20,21)15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3
InChIKey
UTNZJYLQOHPHTQ-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.11914 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12642 179.0
[M+Na]+ 370.10836 192.7
[M+NH4]+ 365.15296 186.5
[M+K]+ 386.08230 184.0
[M-H]- 346.11186 182.2
[M+Na-2H]- 368.09381 185.5
[M]+ 347.11859 182.4
[M]- 347.11969 182.4
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

No patent data available for this compound.