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]+ 295.144116 169.4
[M+Na]+ 317.126058 177.9
[M-H]- 293.129564 174.8
[M+NH4]+ 312.170663 184.7
[M+K]+ 333.099998 173.5
[M+H-H2O]+ 277.134100 160.3
[M+HCOO]- 339.135041 190.3
[M+CH3COO]- 353.150691 203.1
[M+Na-2H]- 315.111506 172.7
[M]+ 294.13629142 173.3
[M]- 294.13738858 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.