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 191.5
[M+Na]+ 412.15530 198.7
[M-H]- 388.15880 197.5
[M+NH4]+ 407.19990 203.4
[M+K]+ 428.12924 194.7
[M+H-H2O]+ 372.16334 183.2
[M+HCOO]- 434.16428 202.5
[M+CH3COO]- 448.17993 221.6
[M+Na-2H]- 410.14075 191.6
[M]+ 389.16553 196.9
[M]- 389.16663 196.9
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.