CID 11149479

3-ethyl-2-(4-hydroxyphenyl)-2h-indazol-5-ol

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CCC1=C2C=C(C=CC2=NN1C3=CC=C(C=C3)O)O
InChI
InChI=1S/C15H14N2O2/c1-2-15-13-9-12(19)7-8-14(13)16-17(15)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3
InChIKey
XBMVVMYGKMGLJX-UHFFFAOYSA-N
Compound name
3-ethyl-2-(4-hydroxyphenyl)indazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

254.10553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 156.7
[M+Na]+ 277.09475 167.9
[M-H]- 253.09825 160.5
[M+NH4]+ 272.13935 173.1
[M+K]+ 293.06869 162.1
[M+H-H2O]+ 237.10279 149.0
[M+HCOO]- 299.10373 177.5
[M+CH3COO]- 313.11938 169.2
[M+Na-2H]- 275.08020 161.8
[M]+ 254.10498 158.9
[M]- 254.10608 158.9
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.