CID 2726215

287176-87-8

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

CC1=CC(=NN1C2=CC=CC=C2)NC(=O)OC

InChI

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

InChIKey

IAIJDORQFIWZAY-UHFFFAOYSA-N

Compound name

methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 231.10077 Da
Monoisotopic Mass: 2.2
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	151.6
[M+Na]+	254.08999	163.7
[M+NH4]+	249.13459	158.6
[M+K]+	270.06393	159.9
[M-H]-	230.09349	154.0
[M+Na-2H]-	252.07544	158.9
[M]+	231.10022	153.8
[M]-	231.10132	153.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.