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

2
Patents

296.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.159746 169.6
[M+Na]+ 319.141688 175.5
[M-H]- 295.145194 175.2
[M+NH4]+ 314.186293 184.0
[M+K]+ 335.115628 171.2
[M+H-H2O]+ 279.149730 160.3
[M+HCOO]- 341.150671 188.7
[M+CH3COO]- 355.166321 206.9
[M+Na-2H]- 317.127136 173.8
[M]+ 296.15192142 168.2
[M]- 296.15301858 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