CID 3067332

81265-72-7

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1=CC2=CN(N=C2C=C1)C3=CC=C(C=C3)CCC(=O)O
InChI
InChI=1S/C16H14N2O2/c19-16(20)10-7-12-5-8-14(9-6-12)18-11-13-3-1-2-4-15(13)17-18/h1-6,8-9,11H,7,10H2,(H,19,20)
InChIKey
KGHGHHMJJVKOTJ-UHFFFAOYSA-N
Compound name
3-(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

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 159.8
[M+Na]+ 289.09475 169.1
[M-H]- 265.09825 164.1
[M+NH4]+ 284.13935 175.6
[M+K]+ 305.06869 163.8
[M+H-H2O]+ 249.10279 151.3
[M+HCOO]- 311.10373 181.0
[M+CH3COO]- 325.11938 171.8
[M+Na-2H]- 287.08020 165.1
[M]+ 266.10498 162.0
[M]- 266.10608 162.0
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.