CID 135705548

1h-indazol-4-ol, 1-phenyl-5-(phenylmethyl)-

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]+ 301.133526 170.2
[M+Na]+ 323.115468 180.1
[M-H]- 299.118974 177.7
[M+NH4]+ 318.160073 184.4
[M+K]+ 339.089408 172.6
[M+H-H2O]+ 283.123510 160.3
[M+HCOO]- 345.124451 191.7
[M+CH3COO]- 359.140101 181.8
[M+Na-2H]- 321.100916 175.8
[M]+ 300.12570142 171.3
[M]- 300.12679858 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.