CID 24844195

3-ethoxyformamido-4-phenylpyrazole

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

CCOC(=O)NC1=C(C=NN1)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2/c1-2-17-12(16)14-11-10(8-13-15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15,16)

InChIKey

LRWHRLZEADQIOS-UHFFFAOYSA-N

Compound name

ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.10077 Da
Monoisotopic Mass: 2.1
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	150.8
[M+Na]+	254.089988	157.7
[M-H]-	230.093494	153.8
[M+NH4]+	249.134593	166.6
[M+K]+	270.063928	154.3
[M+H-H2O]+	214.098030	142.2
[M+HCOO]-	276.098971	173.2
[M+CH3COO]-	290.114621	187.5
[M+Na-2H]-	252.075436	155.5
[M]+	231.10022142	150.1
[M]-	231.10131858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe