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 187.3
[M+Na]+ 398.13964 193.7
[M-H]- 374.14314 191.7
[M+NH4]+ 393.18424 198.8
[M+K]+ 414.11358 189.0
[M+H-H2O]+ 358.14768 179.3
[M+HCOO]- 420.14862 197.2
[M+CH3COO]- 434.16427 215.0
[M+Na-2H]- 396.12509 188.2
[M]+ 375.14987 190.2
[M]- 375.15097 190.2
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.