CID 3068616

3,4-dihydro-1-phenyl-3-isoquinolineethanamine ethanedioate hydrate (1:1:2)

Structural Information

Molecular Formula
C17H18N2
SMILES
C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)CCN
InChI
InChI=1S/C17H18N2/c18-11-10-15-12-14-8-4-5-9-16(14)17(19-15)13-6-2-1-3-7-13/h1-9,15H,10-12,18H2
InChIKey
ZVBVOPYABKPYKC-UHFFFAOYSA-N
Compound name
2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 159.3
[M+Na]+ 273.13622 174.8
[M+NH4]+ 268.18082 169.3
[M+K]+ 289.11016 165.1
[M-H]- 249.13972 165.7
[M+Na-2H]- 271.12167 169.2
[M]+ 250.14645 163.5
[M]- 250.14755 163.5
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