CID 371242

Nsc645298

Structural Information

Molecular Formula
C22H29NO4
SMILES
CN1CCC2=CC(=C(C=C2C1CCC3=CC(=C(C=C3)OC)OC)OC)OC
InChI
InChI=1S/C22H29NO4/c1-23-11-10-16-13-21(26-4)22(27-5)14-17(16)18(23)8-6-15-7-9-19(24-2)20(12-15)25-3/h7,9,12-14,18H,6,8,10-11H2,1-5H3
InChIKey
AECKSTRRHRODOS-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.20966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21694 191.9
[M+Na]+ 394.19888 199.1
[M-H]- 370.20238 197.8
[M+NH4]+ 389.24348 204.3
[M+K]+ 410.17282 195.7
[M+H-H2O]+ 354.20692 181.9
[M+HCOO]- 416.20786 209.5
[M+CH3COO]- 430.22351 222.2
[M+Na-2H]- 392.18433 192.5
[M]+ 371.20911 197.9
[M]- 371.21021 197.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.