CID 215748

36174-08-0

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 179.7
[M+Na]+ 365.08965 188.1
[M-H]- 341.09315 188.3
[M+NH4]+ 360.13425 192.1
[M+K]+ 381.06359 182.7
[M+H-H2O]+ 325.09769 169.2
[M+HCOO]- 387.09863 201.0
[M+CH3COO]- 401.11428 190.6
[M+Na-2H]- 363.07510 183.7
[M]+ 342.09988 182.4
[M]- 342.10098 182.4
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.