CID 72666

4-formylaminoantipyrine

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O

InChI

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

InChIKey

WSJBSKRPKADYRQ-UHFFFAOYSA-N

Compound name

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 36
References: 29
Patents: 231.10077 Da
Monoisotopic Mass: 0.0
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]+	232.10805	151.1
[M+Na]+	254.08999	164.3
[M+NH4]+	249.13459	157.9
[M+K]+	270.06393	159.9
[M-H]-	230.09349	153.6
[M+Na-2H]-	252.07544	158.1
[M]+	231.10022	153.5
[M]-	231.10132	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe