CID 2151

4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N

InChI

InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3

InChIKey

RLFWWDJHLFCNIJ-UHFFFAOYSA-N

Compound name

4-amino-1,5-dimethyl-2-phenylpyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 498
References: 32876
Patents: 203.10587 Da
Monoisotopic Mass: 0.1
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]+	204.11315	143.2
[M+Na]+	226.09509	154.3
[M-H]-	202.09859	148.3
[M+NH4]+	221.13969	161.7
[M+K]+	242.06903	150.4
[M+H-H2O]+	186.10313	135.6
[M+HCOO]-	248.10407	167.7
[M+CH3COO]-	262.11972	188.4
[M+Na-2H]-	224.08054	146.9
[M]+	203.10532	143.8
[M]-	203.10642	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe