CID 30344

20884-91-7

Structural Information

Molecular Formula
C21H27NO4S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2C)OC)OC
InChI
InChI=1S/C21H27NO4S/c1-14(2)27(23,24)17-8-6-15(7-9-17)21-18-13-20(26-5)19(25-4)12-16(18)10-11-22(21)3/h6-9,12-14,21H,10-11H2,1-5H3
InChIKey
DMGWAJAAARJOTH-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16608 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17336 191.4
[M+Na]+ 412.15530 204.5
[M+NH4]+ 407.19990 198.3
[M+K]+ 428.12924 196.2
[M-H]- 388.15880 194.4
[M+Na-2H]- 410.14075 196.7
[M]+ 389.16553 194.7
[M]- 389.16663 194.7
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.