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 182.9
[M-H]- 326.13978 183.0
[M+NH4]+ 345.18088 189.2
[M+K]+ 366.11022 181.2
[M+H-H2O]+ 310.14432 168.4
[M+HCOO]- 372.14526 189.7
[M+CH3COO]- 386.16091 186.5
[M+Na-2H]- 348.12173 178.5
[M]+ 327.14651 177.5
[M]- 327.14761 177.5
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.