CID 3067331

81265-70-5

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC(C)(C1=CC=C(C=C1)N2C=C3C=CC=CC3=N2)C(=O)O
InChI
InChI=1S/C17H16N2O2/c1-17(2,16(20)21)13-7-9-14(10-8-13)19-11-12-5-3-4-6-15(12)18-19/h3-11H,1-2H3,(H,20,21)
InChIKey
QMPDHRCWFVSVRW-UHFFFAOYSA-N
Compound name
2-(4-indazol-2-ylphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 165.5
[M+Na]+ 303.110418 174.7
[M-H]- 279.113924 170.0
[M+NH4]+ 298.155023 180.8
[M+K]+ 319.084358 169.7
[M+H-H2O]+ 263.118460 157.5
[M+HCOO]- 325.119401 184.6
[M+CH3COO]- 339.135051 197.9
[M+Na-2H]- 301.095866 171.0
[M]+ 280.12065142 167.5
[M]- 280.12174858 167.5
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.