CID 61720931

N-[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]aniline

Structural Information

Molecular Formula
C16H18N2
SMILES
C1CNC(C2=CC=CC=C21)CNC3=CC=CC=C3
InChI
InChI=1S/C16H18N2/c1-2-7-14(8-3-1)18-12-16-15-9-5-4-6-13(15)10-11-17-16/h1-9,16-18H,10-12H2
InChIKey
APODFCDDRZHIBV-UHFFFAOYSA-N
Compound name
N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 156.4
[M+Na]+ 261.13622 170.5
[M+NH4]+ 256.18082 166.2
[M+K]+ 277.11016 161.1
[M-H]- 237.13972 162.2
[M+Na-2H]- 259.12167 165.7
[M]+ 238.14645 160.1
[M]- 238.14755 160.1
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.