CID 3067327

81265-53-4

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CCOC(=O)C(C)C1=CC=C(C=C1)N2C=C3C=CC=CC3=N2
InChI
InChI=1S/C18H18N2O2/c1-3-22-18(21)13(2)14-8-10-16(11-9-14)20-12-15-6-4-5-7-17(15)19-20/h4-13H,3H2,1-2H3
InChIKey
CIZNHRGXNNFZJV-UHFFFAOYSA-N
Compound name
ethyl 2-(4-indazol-2-ylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 168.4
[M+Na]+ 317.12606 183.1
[M+NH4]+ 312.17066 176.1
[M+K]+ 333.10000 177.5
[M-H]- 293.12956 171.7
[M+Na-2H]- 315.11151 176.5
[M]+ 294.13629 171.5
[M]- 294.13739 171.5
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.