CID 49835877

Ml212

Structural Information

Molecular Formula
C17H16N2O3
SMILES
COC1=CC=CC(=C1)C2=NN(C3=CC=CC=C32)CC(=O)OC
InChI
InChI=1S/C17H16N2O3/c1-21-13-7-5-6-12(10-13)17-14-8-3-4-9-15(14)19(18-17)11-16(20)22-2/h3-10H,11H2,1-2H3
InChIKey
HKESSCOHFVBZRN-UHFFFAOYSA-N
Compound name
methyl 2-[3-(3-methoxyphenyl)indazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

296.1161 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.123376 167.7
[M+Na]+ 319.105318 177.7
[M-H]- 295.108824 173.6
[M+NH4]+ 314.149923 183.2
[M+K]+ 335.079258 173.8
[M+H-H2O]+ 279.113360 158.7
[M+HCOO]- 341.114301 190.1
[M+CH3COO]- 355.129951 202.5
[M+Na-2H]- 317.090766 172.1
[M]+ 296.11555142 173.7
[M]- 296.11664858 173.7
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.