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 169.4
[M+Na]+ 317.12606 177.9
[M-H]- 293.12956 174.8
[M+NH4]+ 312.17066 184.7
[M+K]+ 333.10000 173.5
[M+H-H2O]+ 277.13410 160.3
[M+HCOO]- 339.13504 190.3
[M+CH3COO]- 353.15069 203.1
[M+Na-2H]- 315.11151 172.7
[M]+ 294.13629 173.3
[M]- 294.13739 173.3
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.