CID 200756

2650-07-9

Structural Information

Molecular Formula

C₁₀H₁₀N₄O

SMILES

CC1=NNC(=O)C1N=NC2=CC=CC=C2

InChI

InChI=1S/C10H10N4O/c1-7-9(10(15)14-11-7)13-12-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,14,15)

InChIKey

YHCCPHWHJQNCNK-UHFFFAOYSA-N

Compound name

3-methyl-4-phenyldiazenyl-1,4-dihydropyrazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.08546 Da
Monoisotopic Mass: 1.6
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]+	203.09274	141.5
[M+Na]+	225.07468	149.8
[M-H]-	201.07818	147.4
[M+NH4]+	220.11928	159.7
[M+K]+	241.04862	147.1
[M+H-H2O]+	185.08272	132.6
[M+HCOO]-	247.08366	168.1
[M+CH3COO]-	261.09931	189.9
[M+Na-2H]-	223.06013	148.1
[M]+	202.08491	140.7
[M]-	202.08601	140.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.