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]+ 239.154276 153.3
[M+Na]+ 261.136218 158.1
[M-H]- 237.139724 157.0
[M+NH4]+ 256.180823 169.0
[M+K]+ 277.110158 152.1
[M+H-H2O]+ 221.144260 144.7
[M+HCOO]- 283.145201 172.2
[M+CH3COO]- 297.160851 163.7
[M+Na-2H]- 259.121666 161.0
[M]+ 238.14645142 147.3
[M]- 238.14754858 147.3
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.