CID 135705548

5-benzyl-1-phenyl-1h-indazol-4-ol

Structural Information

Molecular Formula
C20H16N2O
SMILES
C1=CC=C(C=C1)CC2=C(C3=C(C=C2)N(N=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C20H16N2O/c23-20-16(13-15-7-3-1-4-8-15)11-12-19-18(20)14-21-22(19)17-9-5-2-6-10-17/h1-12,14,23H,13H2
InChIKey
YUSSEKWKPFRJBF-UHFFFAOYSA-N
Compound name
5-benzyl-1-phenylindazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12625 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13353 170.2
[M+Na]+ 323.11547 180.1
[M-H]- 299.11897 177.7
[M+NH4]+ 318.16007 184.4
[M+K]+ 339.08941 172.6
[M+H-H2O]+ 283.12351 160.3
[M+HCOO]- 345.12445 191.7
[M+CH3COO]- 359.14010 181.8
[M+Na-2H]- 321.10092 175.8
[M]+ 300.12570 171.3
[M]- 300.12680 171.3
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.