CID 154700058

Ns00117768

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

CN1C=C(C(=O)N1C2=CC=CC=C2)N(C)C

InChI

InChI=1S/C12H15N3O/c1-13(2)11-9-14(3)15(12(11)16)10-7-5-4-6-8-10/h4-9H,1-3H3

InChIKey

WOEUPEKLVDSCQN-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-1-methyl-2-phenylpyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.1215 Da
Monoisotopic Mass: 1.9
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]+	218.128776	146.9
[M+Na]+	240.110718	156.6
[M-H]-	216.114224	153.3
[M+NH4]+	235.155323	165.3
[M+K]+	256.084658	154.3
[M+H-H2O]+	200.118760	138.5
[M+HCOO]-	262.119701	172.1
[M+CH3COO]-	276.135351	194.2
[M+Na-2H]-	238.096166	151.0
[M]+	217.12095142	149.6
[M]-	217.12204858	149.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.