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]+ 217.108376 146.4
[M+Na]+ 239.090318 155.3
[M-H]- 215.093824 152.5
[M+NH4]+ 234.134923 164.4
[M+K]+ 255.064258 152.3
[M+H-H2O]+ 199.098360 137.7
[M+HCOO]- 261.099301 172.7
[M+CH3COO]- 275.114951 194.1
[M+Na-2H]- 237.075766 151.8
[M]+ 216.10055142 146.4
[M]- 216.10164858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.