CID 20605

5-(3,4,5-trimethoxybenzoyloxy)-2-ethyl-1,2,3,4-tetrahydro-isoquinoline hydrobromide

Structural Information

Molecular Formula
C21H25NO5
SMILES
CCN1CCC2=C(C1)C=CC=C2OC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H25NO5/c1-5-22-10-9-16-14(13-22)7-6-8-17(16)27-21(23)15-11-18(24-2)20(26-4)19(12-15)25-3/h6-8,11-12H,5,9-10,13H2,1-4H3
InChIKey
OKAIAQTVPGOLCE-UHFFFAOYSA-N
Compound name
(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl) 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 188.4
[M+Na]+ 394.16250 202.0
[M+NH4]+ 389.20710 195.0
[M+K]+ 410.13644 195.1
[M-H]- 370.16600 191.7
[M+Na-2H]- 392.14795 193.7
[M]+ 371.17273 191.3
[M]- 371.17383 191.3
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.