CID 53260

(beta-(2-pyridyl)ethyl)isoquinoline

Structural Information

Molecular Formula
C16H14N2
SMILES
C1=CC=C2C(=C1)C=CN=C2CCC3=CC=CC=N3
InChI
InChI=1S/C16H14N2/c1-2-7-15-13(5-1)10-12-18-16(15)9-8-14-6-3-4-11-17-14/h1-7,10-12H,8-9H2
InChIKey
RSBCTUPEIZFAAB-UHFFFAOYSA-N
Compound name
1-(2-pyridin-2-ylethyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

234.11569 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12297 153.2
[M+Na]+ 257.10491 161.4
[M-H]- 233.10841 157.6
[M+NH4]+ 252.14951 168.9
[M+K]+ 273.07885 155.6
[M+H-H2O]+ 217.11295 143.5
[M+HCOO]- 279.11389 173.9
[M+CH3COO]- 293.12954 165.0
[M+Na-2H]- 255.09036 162.7
[M]+ 234.11514 152.9
[M]- 234.11624 152.9
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

No patent data available for this compound.