CID 207987

31338-73-5

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

CC1=C(C(=CC=C1)N2C3=CC=CC=C3C(=O)N2)C

InChI

InChI=1S/C15H14N2O/c1-10-6-5-9-13(11(10)2)17-14-8-4-3-7-12(14)15(18)16-17/h3-9H,1-2H3,(H,16,18)

InChIKey

QXMOQFIPCBKBDY-UHFFFAOYSA-N

Compound name

1-(2,3-dimethylphenyl)-2H-indazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.11061 Da
Monoisotopic Mass: 3.6
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]+	239.11789	152.6
[M+Na]+	261.09983	164.8
[M-H]-	237.10333	157.8
[M+NH4]+	256.14443	170.5
[M+K]+	277.07377	158.5
[M+H-H2O]+	221.10787	144.9
[M+HCOO]-	283.10881	174.9
[M+CH3COO]-	297.12446	166.0
[M+Na-2H]-	259.08528	158.0
[M]+	238.11006	154.6
[M]-	238.11116	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe