CID 205210

17606-09-6

Structural Information

Molecular Formula
C19H21NO4
SMILES
CN1CCC2=CC3=C(C=C2C1C(C4=CC=C(C=C4)OC)O)OCO3
InChI
InChI=1S/C19H21NO4/c1-20-8-7-13-9-16-17(24-11-23-16)10-15(13)18(20)19(21)12-3-5-14(22-2)6-4-12/h3-6,9-10,18-19,21H,7-8,11H2,1-2H3
InChIKey
KHMWXQFWDLZVCN-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 176.2
[M+Na]+ 350.13628 189.5
[M+NH4]+ 345.18088 184.3
[M+K]+ 366.11022 185.4
[M-H]- 326.13978 182.4
[M+Na-2H]- 348.12173 179.6
[M]+ 327.14651 179.9
[M]- 327.14761 179.9
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.