CID 462569

Chembl129373

Structural Information

Molecular Formula
C22H18N4
SMILES
CC1=CC(=CC=C1)C(=NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4)N
InChI
InChI=1S/C22H18N4/c1-15-7-6-9-17(13-15)21(23)26-22-18-10-3-2-8-16(18)14-20(25-22)19-11-4-5-12-24-19/h2-14H,1H3,(H2,23,25,26)
InChIKey
IABRYYLROFPGTH-UHFFFAOYSA-N
Compound name
3-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

338.15314 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16042 182.3
[M+Na]+ 361.14236 189.6
[M-H]- 337.14586 190.8
[M+NH4]+ 356.18696 193.1
[M+K]+ 377.11630 182.2
[M+H-H2O]+ 321.15040 170.3
[M+HCOO]- 383.15134 204.1
[M+CH3COO]- 397.16699 192.1
[M+Na-2H]- 359.12781 189.0
[M]+ 338.15259 180.3
[M]- 338.15369 180.3
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.