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]+ 281.12848 165.5
[M+Na]+ 303.11042 174.7
[M-H]- 279.11392 170.0
[M+NH4]+ 298.15502 180.8
[M+K]+ 319.08436 169.7
[M+H-H2O]+ 263.11846 157.5
[M+HCOO]- 325.11940 184.6
[M+CH3COO]- 339.13505 197.9
[M+Na-2H]- 301.09587 171.0
[M]+ 280.12065 167.5
[M]- 280.12175 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.