CID 216582

Dtxsid60958573

Structural Information

Molecular Formula
C18H20N2O3
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2CCNC3)OC
InChI
InChI=1S/C18H20N2O3/c1-22-16-7-6-12(10-17(16)23-2)18(21)20-15-5-3-4-13-11-19-9-8-14(13)15/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21)
InChIKey
YGXQMXOUCICBHU-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.154676 172.4
[M+Na]+ 335.136618 177.7
[M-H]- 311.140124 176.6
[M+NH4]+ 330.181223 185.3
[M+K]+ 351.110558 173.3
[M+H-H2O]+ 295.144660 163.3
[M+HCOO]- 357.145601 190.2
[M+CH3COO]- 371.161251 206.7
[M+Na-2H]- 333.122066 176.4
[M]+ 312.14685142 170.7
[M]- 312.14794858 170.7
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