CID 157365

M.g. 18755

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC(C1=CC=C(C=C1)N2C=C3C=CC=CC3=N2)C(=O)O
InChI
InChI=1S/C16H14N2O2/c1-11(16(19)20)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)17-18/h2-11H,1H3,(H,19,20)
InChIKey
JARNVIWZIFANFH-UHFFFAOYSA-N
Compound name
2-(4-indazol-2-ylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 159.8
[M+Na]+ 289.09475 174.3
[M+NH4]+ 284.13935 167.5
[M+K]+ 305.06869 169.5
[M-H]- 265.09825 162.6
[M+Na-2H]- 287.08020 167.7
[M]+ 266.10498 162.6
[M]- 266.10608 162.6
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.