CID 485062

N-[(2-methoxyphenyl)methyl]isoquinoline-6-carboxamide

Structural Information

Molecular Formula
C18H16N2O2
SMILES
COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C18H16N2O2/c1-22-17-5-3-2-4-16(17)12-20-18(21)14-6-7-15-11-19-9-8-13(15)10-14/h2-11H,12H2,1H3,(H,20,21)
InChIKey
YYKLXQYOFGPJCB-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]isoquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

292.1212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 167.3
[M+Na]+ 315.110418 174.3
[M-H]- 291.113924 173.3
[M+NH4]+ 310.155023 181.6
[M+K]+ 331.084358 169.6
[M+H-H2O]+ 275.118460 157.8
[M+HCOO]- 337.119401 189.3
[M+CH3COO]- 351.135051 178.4
[M+Na-2H]- 313.095866 174.3
[M]+ 292.12065142 168.3
[M]- 292.12174858 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.