CID 126438

4-(n-methyl-n-nitroso)aminoantipyrine

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₂

SMILES

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

InChI

InChI=1S/C12H14N4O2/c1-9-11(14(2)13-18)12(17)16(15(9)3)10-7-5-4-6-8-10/h4-8H,1-3H3

InChIKey

PJVMURIFUSQEOU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 39
Patents: 246.11168 Da
Monoisotopic Mass: 0.7
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]+	247.11896	154.0
[M+Na]+	269.10090	166.6
[M+NH4]+	264.14550	160.8
[M+K]+	285.07484	162.9
[M-H]-	245.10440	157.5
[M+Na-2H]-	267.08635	161.5
[M]+	246.11113	156.5
[M]-	246.11223	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe