CID 29077

Brn 1505735

Structural Information

Molecular Formula
C20H23NO4S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=NCCC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C20H23NO4S/c1-13(2)26(22,23)16-7-5-14(6-8-16)20-17-12-19(25-4)18(24-3)11-15(17)9-10-21-20/h5-8,11-13H,9-10H2,1-4H3
InChIKey
OHHBBAUDOCJGIT-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.13477 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14205 186.1
[M+Na]+ 396.12399 200.0
[M+NH4]+ 391.16859 193.3
[M+K]+ 412.09793 191.5
[M-H]- 372.12749 189.3
[M+Na-2H]- 394.10944 192.8
[M]+ 373.13422 189.6
[M]- 373.13532 189.6
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.