CID 3243873

Inz-1

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

COC(=O)CN1C2=CC=CC=C2C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3

InChIKey

RBYOCUDWQCQSAM-UHFFFAOYSA-N

Compound name

methyl 2-(3-phenylindazol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4
Patents: 266.10553 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]+	267.11281	160.0
[M+Na]+	289.09475	169.8
[M-H]-	265.09825	165.7
[M+NH4]+	284.13935	176.6
[M+K]+	305.06869	165.3
[M+H-H2O]+	249.10279	151.1
[M+HCOO]-	311.10373	182.6
[M+CH3COO]-	325.11938	172.6
[M+Na-2H]-	287.08020	165.6
[M]+	266.10498	163.9
[M]-	266.10608	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe