CID 209791

20390-40-3

Structural Information

Molecular Formula
C17H18N2
SMILES
CCC1(CC2=CC=CC=C2C(=N1)C3=CC=NC=C3)C
InChI
InChI=1S/C17H18N2/c1-3-17(2)12-14-6-4-5-7-15(14)16(19-17)13-8-10-18-11-9-13/h4-11H,3,12H2,1-2H3
InChIKey
XZGQVCVQIJTOQX-UHFFFAOYSA-N
Compound name
3-ethyl-3-methyl-1-pyridin-4-yl-4H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.147 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.154276 159.9
[M+Na]+ 273.136218 168.6
[M-H]- 249.139724 164.7
[M+NH4]+ 268.180823 177.3
[M+K]+ 289.110158 163.1
[M+H-H2O]+ 233.144260 150.2
[M+HCOO]- 295.145201 178.9
[M+CH3COO]- 309.160851 171.5
[M+Na-2H]- 271.121666 167.9
[M]+ 250.14645142 159.2
[M]- 250.14754858 159.2
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