CID 21141

Brn 0404617

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

CN(C)NC(=O)C(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H13N3O2/c1-15(2)14-12(17)11(16)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,1-2H3,(H,14,17)

InChIKey

VBNQBFCBVOIGJQ-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-yl)-N',N'-dimethyl-2-oxoacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.10077 Da
Monoisotopic Mass: 1.9
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]+	232.108046	150.1
[M+Na]+	254.089988	157.3
[M-H]-	230.093494	153.9
[M+NH4]+	249.134593	168.8
[M+K]+	270.063928	155.2
[M+H-H2O]+	214.098030	142.9
[M+HCOO]-	276.098971	174.3
[M+CH3COO]-	290.114621	195.5
[M+Na-2H]-	252.075436	155.0
[M]+	231.10022142	151.0
[M]-	231.10131858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.