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 186.9
[M+Na]+ 396.12399 194.8
[M-H]- 372.12749 193.1
[M+NH4]+ 391.16859 199.3
[M+K]+ 412.09793 190.6
[M+H-H2O]+ 356.13203 178.4
[M+HCOO]- 418.13297 199.7
[M+CH3COO]- 432.14862 217.0
[M+Na-2H]- 394.10944 189.0
[M]+ 373.13422 192.9
[M]- 373.13532 192.9
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.