CID 17859014

441717-61-9

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₃

SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C(=O)OC

InChI

InChI=1S/C17H16N2O3/c1-21-13-9-7-12(8-10-13)11-19-15-6-4-3-5-14(15)16(18-19)17(20)22-2/h3-10H,11H2,1-2H3

InChIKey

APGOKZLDEQLDRR-UHFFFAOYSA-N

Compound name

methyl 1-[(4-methoxyphenyl)methyl]indazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 296.1161 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe