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

2
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

literature stripe

Patent stripe

patents stripe