CID 216586

37481-28-0

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

1
Patents

342.15796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 180.0
[M+Na]+ 365.14718 185.5
[M-H]- 341.15068 184.4
[M+NH4]+ 360.19178 191.9
[M+K]+ 381.12112 181.8
[M+H-H2O]+ 325.15522 170.7
[M+HCOO]- 387.15616 197.6
[M+CH3COO]- 401.17181 213.2
[M+Na-2H]- 363.13263 182.9
[M]+ 342.15741 180.5
[M]- 342.15851 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