CID 11451395

Schembl12338869

Structural Information

Molecular Formula
C23H15N3O2
SMILES
C1=CC2=C(C=CN=C2)C(=C1)OC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C23H15N3O2/c24-14-16-4-6-17(7-5-16)23(27)26-19-8-10-20(11-9-19)28-22-3-1-2-18-15-25-13-12-21(18)22/h1-13,15H,(H,26,27)
InChIKey
TXKPSNZRLQYUDL-UHFFFAOYSA-N
Compound name
4-cyano-N-(4-isoquinolin-5-yloxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

365.11642 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12370 194.5
[M+Na]+ 388.10564 203.9
[M-H]- 364.10914 200.3
[M+NH4]+ 383.15024 203.5
[M+K]+ 404.07958 194.2
[M+H-H2O]+ 348.11368 177.0
[M+HCOO]- 410.11462 211.5
[M+CH3COO]- 424.13027 202.0
[M+Na-2H]- 386.09109 198.5
[M]+ 365.11587 188.8
[M]- 365.11697 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe