CID 10339071

390817-85-3

Structural Information

Molecular Formula
C23H19N3O2
SMILES
CC1=CC2=C(N=C(C=C2C=C1)C3=CC=CC=N3)NC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H19N3O2/c1-15-6-7-17-14-21(20-5-3-4-12-24-20)25-22(19(17)13-15)26-23(27)16-8-10-18(28-2)11-9-16/h3-14H,1-2H3,(H,25,26,27)
InChIKey
YRVCIGPJMKDQQB-UHFFFAOYSA-N
Compound name
4-methoxy-N-(7-methyl-3-pyridin-2-ylisoquinolin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

369.14774 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 190.4
[M+Na]+ 392.13696 207.9
[M+NH4]+ 387.18156 198.2
[M+K]+ 408.11090 198.3
[M-H]- 368.14046 197.7
[M+Na-2H]- 390.12241 201.6
[M]+ 369.14719 195.2
[M]- 369.14829 195.2
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

patents stripe