CID 216586

Dtxsid80958575

Structural Information

Molecular Formula
C19H22N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC3=C2CCNC3
InChI
InChI=1S/C19H22N2O4/c1-23-16-9-13(10-17(24-2)18(16)25-3)19(22)21-15-6-4-5-12-11-20-8-7-14(12)15/h4-6,9-10,20H,7-8,11H2,1-3H3,(H,21,22)
InChIKey
ZBFWEGYLRUCBRW-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.15796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.165236 180.0
[M+Na]+ 365.147178 185.5
[M-H]- 341.150684 184.4
[M+NH4]+ 360.191783 191.9
[M+K]+ 381.121118 181.8
[M+H-H2O]+ 325.155220 170.7
[M+HCOO]- 387.156161 197.6
[M+CH3COO]- 401.171811 213.2
[M+Na-2H]- 363.132626 182.9
[M]+ 342.15741142 180.5
[M]- 342.15850858 180.5
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

patents stripe