CID 30342

20884-90-6

Structural Information

Molecular Formula
C20H25NO4S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2)OC)OC
InChI
InChI=1S/C20H25NO4S/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/h5-8,11-13,20-21H,9-10H2,1-4H3
InChIKey
FMUVIFLFKIUPHK-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.15042 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15770 186.8
[M+Na]+ 398.13964 199.1
[M+NH4]+ 393.18424 193.5
[M+K]+ 414.11358 191.3
[M-H]- 374.14314 189.2
[M+Na-2H]- 396.12509 192.0
[M]+ 375.14987 189.7
[M]- 375.15097 189.7
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.