CID 200705

3-methyl-4-(p-tolylazo)-2-pyrazolin-5-one

Structural Information

Molecular Formula
C11H12N4O
SMILES
CC1=CC=C(C=C1)N=NC2C(=NNC2=O)C
InChI
InChI=1S/C11H12N4O/c1-7-3-5-9(6-4-7)13-14-10-8(2)12-15-11(10)16/h3-6,10H,1-2H3,(H,15,16)
InChIKey
IEHUIUFRCOTUPN-UHFFFAOYSA-N
Compound name
3-methyl-4-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1011 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10838 147.9
[M+Na]+ 239.09032 159.8
[M+NH4]+ 234.13492 155.2
[M+K]+ 255.06426 155.2
[M-H]- 215.09382 151.4
[M+Na-2H]- 237.07577 155.3
[M]+ 216.10055 150.3
[M]- 216.10165 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.