CID 463106

Chembl339967

Structural Information

Molecular Formula
C22H18N4O
SMILES
COC1=CC=C(C=C1)C(=NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4)N
InChI
InChI=1S/C22H18N4O/c1-27-17-11-9-15(10-12-17)21(23)26-22-18-7-3-2-6-16(18)14-20(25-22)19-8-4-5-13-24-19/h2-14H,1H3,(H2,23,25,26)
InChIKey
NQRACHHGCZAJSD-UHFFFAOYSA-N
Compound name
4-methoxy-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

354.14807 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15535 186.0
[M+Na]+ 377.13729 202.8
[M+NH4]+ 372.18189 194.2
[M+K]+ 393.11123 193.1
[M-H]- 353.14079 194.2
[M+Na-2H]- 375.12274 198.0
[M]+ 354.14752 190.9
[M]- 354.14862 190.9
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.