CID 172849

Chromate(1-), bis(2-(2-(1-(2-ethylphenyl)-4,5-dihydro-3-methyl-5-(oxo-kappao)-1h-pyrazol-4-yl)diazenyl-kappan1)benzoato(2-)-kappao)-, hydrogen (1:1)

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CCC1=CC=CC=C1N2C(=O)C(=C(N2)C)N=NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C19H18N4O3/c1-3-13-8-4-7-11-16(13)23-18(24)17(12(2)22-23)21-20-15-10-6-5-9-14(15)19(25)26/h4-11,22H,3H2,1-2H3,(H,25,26)
InChIKey
WZHFUKPPHUOITI-UHFFFAOYSA-N
Compound name
2-[[2-(2-ethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.145156 181.7
[M+Na]+ 373.127098 190.2
[M-H]- 349.130604 190.2
[M+NH4]+ 368.171703 193.2
[M+K]+ 389.101038 185.0
[M+H-H2O]+ 333.135140 171.5
[M+HCOO]- 395.136081 206.0
[M+CH3COO]- 409.151731 218.4
[M+Na-2H]- 371.112546 183.4
[M]+ 350.13733142 183.8
[M]- 350.13842858 183.8
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.