CID 10247610

Vuf-8504

Structural Information

Molecular Formula
C22H17N3O2
SMILES
COC1=CC=C(C=C1)C(=O)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4
InChI
InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
InChIKey
VLGYXUZBVKQWQO-UHFFFAOYSA-N
Compound name
4-methoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

355.13208 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 185.6
[M+Na]+ 378.12130 203.0
[M+NH4]+ 373.16590 193.6
[M+K]+ 394.09524 193.5
[M-H]- 354.12480 192.9
[M+Na-2H]- 376.10675 197.4
[M]+ 355.13153 190.3
[M]- 355.13263 190.3
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

patents stripe