CID 45920

63979-53-3

Structural Information

Molecular Formula
C20H23NO5
SMILES
CN1CCC2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3
InChI
InChI=1S/C20H23NO5/c1-21-6-5-12-7-15-16(26-11-25-15)10-14(12)19(21)13-8-17(22-2)20(24-4)18(9-13)23-3/h7-10,19H,5-6,11H2,1-4H3
InChIKey
YNNAIAGUISNRCA-UHFFFAOYSA-N
Compound name
6-methyl-5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.15762 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.164896 184.4
[M+Na]+ 380.146838 193.0
[M-H]- 356.150344 193.1
[M+NH4]+ 375.191443 197.4
[M+K]+ 396.120778 192.1
[M+H-H2O]+ 340.154880 176.2
[M+HCOO]- 402.155821 200.1
[M+CH3COO]- 416.171471 195.5
[M+Na-2H]- 378.132286 186.4
[M]+ 357.15707142 190.6
[M]- 357.15816858 190.6
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.