CID 13044264

82586-59-2

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC1=C(C=C2CNC(CC2=C1)C(=O)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C19H21NO4/c1-22-17-9-14-8-16(20-11-15(14)10-18(17)23-2)19(21)24-12-13-6-4-3-5-7-13/h3-7,9-10,16,20H,8,11-12H2,1-2H3
InChIKey
BKYMGLDEHRTSOO-UHFFFAOYSA-N
Compound name
benzyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

327.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.154336 176.8
[M+Na]+ 350.136278 182.3
[M-H]- 326.139784 180.9
[M+NH4]+ 345.180883 189.3
[M+K]+ 366.110218 178.4
[M+H-H2O]+ 310.144320 167.5
[M+HCOO]- 372.145261 193.3
[M+CH3COO]- 386.160911 206.7
[M+Na-2H]- 348.121726 179.7
[M]+ 327.14651142 177.4
[M]- 327.14760858 177.4
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

patents stripe