CID 363258

53055-03-1

Structural Information

Molecular Formula
C18H22N2O
SMILES
CN1CCC2=CC=CC=C2C1CC3=C(C=CC(=C3)OC)N
InChI
InChI=1S/C18H22N2O/c1-20-10-9-13-5-3-4-6-16(13)18(20)12-14-11-15(21-2)7-8-17(14)19/h3-8,11,18H,9-10,12,19H2,1-2H3
InChIKey
JXUZONMCSRNDCO-UHFFFAOYSA-N
Compound name
4-methoxy-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.3
[M+Na]+ 305.16244 175.4
[M-H]- 281.16594 173.8
[M+NH4]+ 300.20704 183.6
[M+K]+ 321.13638 170.2
[M+H-H2O]+ 265.17048 159.3
[M+HCOO]- 327.17142 187.5
[M+CH3COO]- 341.18707 179.0
[M+Na-2H]- 303.14789 171.9
[M]+ 282.17267 166.4
[M]- 282.17377 166.4
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

No patent data available for this compound.