CID 378733

142504-01-6

Structural Information

Molecular Formula
C17H16N2O3
SMILES
COC1=C(C=CC2=C1C=NN2C3=CC=CC=C3)CC(=O)OC
InChI
InChI=1S/C17H16N2O3/c1-21-16(20)10-12-8-9-15-14(17(12)22-2)11-18-19(15)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKey
ZNRVIFBCDSXYAO-UHFFFAOYSA-N
Compound name
methyl 2-(4-methoxy-1-phenylindazol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 167.7
[M+Na]+ 319.10532 177.7
[M-H]- 295.10882 173.6
[M+NH4]+ 314.14992 183.2
[M+K]+ 335.07926 173.8
[M+H-H2O]+ 279.11336 158.7
[M+HCOO]- 341.11430 190.1
[M+CH3COO]- 355.12995 202.5
[M+Na-2H]- 317.09077 172.1
[M]+ 296.11555 173.7
[M]- 296.11665 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.