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]+ 328.154336 176.2
[M+Na]+ 350.136278 182.9
[M-H]- 326.139784 183.0
[M+NH4]+ 345.180883 189.2
[M+K]+ 366.110218 181.2
[M+H-H2O]+ 310.144320 168.4
[M+HCOO]- 372.145261 189.7
[M+CH3COO]- 386.160911 186.5
[M+Na-2H]- 348.121726 178.5
[M]+ 327.14651142 177.5
[M]- 327.14760858 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.