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]+ 253.16992 159.9
[M+Na]+ 275.15186 166.6
[M-H]- 251.15536 165.2
[M+NH4]+ 270.19646 176.2
[M+K]+ 291.12580 161.0
[M+H-H2O]+ 235.15990 151.2
[M+HCOO]- 297.16084 179.3
[M+CH3COO]- 311.17649 170.9
[M+Na-2H]- 273.13731 164.8
[M]+ 252.16209 155.9
[M]- 252.16319 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