CID 3043191

Brn 0887542

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂

SMILES

CN(C)C(=O)C1=NN(C(=C1)OC)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2/c1-15(2)13(17)11-9-12(18-3)16(14-11)10-7-5-4-6-8-10/h4-9H,1-3H3

InChIKey

QCZOFCZSRQWFTA-UHFFFAOYSA-N

Compound name

5-methoxy-N,N-dimethyl-1-phenylpyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 245.11642 Da
Monoisotopic Mass: 2.0
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]+	246.123696	154.6
[M+Na]+	268.105638	162.6
[M-H]-	244.109144	160.7
[M+NH4]+	263.150243	171.5
[M+K]+	284.079578	161.2
[M+H-H2O]+	228.113680	145.8
[M+HCOO]-	290.114621	178.7
[M+CH3COO]-	304.130271	198.3
[M+Na-2H]-	266.091086	157.9
[M]+	245.11587142	158.0
[M]-	245.11696858	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.