CID 3021584

89928-80-3

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CC1=C(N=C(C2=CC=CC=C12)N3CCCCC3)C(=O)OC
InChI
InChI=1S/C17H20N2O2/c1-12-13-8-4-5-9-14(13)16(18-15(12)17(20)21-2)19-10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKey
XDCSJJCJKBTPCJ-UHFFFAOYSA-N
Compound name
methyl 4-methyl-1-piperidin-1-ylisoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 167.7
[M+Na]+ 307.14169 181.7
[M+NH4]+ 302.18629 175.8
[M+K]+ 323.11563 174.1
[M-H]- 283.14519 171.4
[M+Na-2H]- 305.12714 174.4
[M]+ 284.15192 170.7
[M]- 284.15302 170.7
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.