CID 28725

1-(o-aminobenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride

Structural Information

Molecular Formula
C17H20N2
SMILES
CN1CCC2=CC=CC=C2C1CC3=CC=CC=C3N
InChI
InChI=1S/C17H20N2/c1-19-11-10-13-6-2-4-8-15(13)17(19)12-14-7-3-5-9-16(14)18/h2-9,17H,10-12,18H2,1H3
InChIKey
LOUNSLPRJCRBAK-UHFFFAOYSA-N
Compound name
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.16264 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.169916 159.9
[M+Na]+ 275.151858 166.6
[M-H]- 251.155364 165.2
[M+NH4]+ 270.196463 176.2
[M+K]+ 291.125798 161.0
[M+H-H2O]+ 235.159900 151.2
[M+HCOO]- 297.160841 179.3
[M+CH3COO]- 311.176491 170.9
[M+Na-2H]- 273.137306 164.8
[M]+ 252.16209142 155.9
[M]- 252.16318858 155.9
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