CID 216594

37481-38-2

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H20N2O2/c1-20-11-10-16-14(12-20)4-3-5-17(16)19-18(21)13-6-8-15(22-2)9-7-13/h3-9H,10-12H2,1-2H3,(H,19,21)
InChIKey
IZDLNQZZFLQEMP-UHFFFAOYSA-N
Compound name
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 169.6
[M+Na]+ 319.14169 175.5
[M-H]- 295.14519 175.2
[M+NH4]+ 314.18629 184.0
[M+K]+ 335.11563 171.2
[M+H-H2O]+ 279.14973 160.3
[M+HCOO]- 341.15067 188.7
[M+CH3COO]- 355.16632 206.9
[M+Na-2H]- 317.12714 173.8
[M]+ 296.15192 168.2
[M]- 296.15302 168.2
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