CID 215748

1-benzoyl-1h-indazol-5-yl benzoate

Structural Information

Molecular Formula
C21H14N2O3
SMILES
C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)OC(=O)C4=CC=CC=C4)C=N2
InChI
InChI=1S/C21H14N2O3/c24-20(15-7-3-1-4-8-15)23-19-12-11-18(13-17(19)14-22-23)26-21(25)16-9-5-2-6-10-16/h1-14H
InChIKey
QVOLYJIKHKMZNB-UHFFFAOYSA-N
Compound name
(1-benzoylindazol-5-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10043 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10771 178.9
[M+Na]+ 365.08965 195.4
[M+NH4]+ 360.13425 186.4
[M+K]+ 381.06359 189.2
[M-H]- 341.09315 184.2
[M+Na-2H]- 363.07510 189.7
[M]+ 342.09988 182.9
[M]- 342.10098 182.9
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

No patent data available for this compound.