CID 10192677

10223-33-3

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CC1=NN(C(=O)C1CCO)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2/c1-9-11(7-8-15)12(16)14(13-9)10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3

InChIKey

AVOONTISHAAFGN-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethyl)-5-methyl-2-phenyl-4H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 218.10553 Da
Monoisotopic Mass: 1.0
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]+	219.112806	148.0
[M+Na]+	241.094748	157.0
[M-H]-	217.098254	151.2
[M+NH4]+	236.139353	165.2
[M+K]+	257.068688	153.3
[M+H-H2O]+	201.102790	140.3
[M+HCOO]-	263.103731	168.9
[M+CH3COO]-	277.119381	185.7
[M+Na-2H]-	239.080196	151.0
[M]+	218.10498142	148.3
[M]-	218.10607858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe