CID 109831

Dtxsid40887296

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/h4-11,17H,3H2,1-2H3,(H,25,26)
InChIKey
BVQXMAJFIDNCPG-UHFFFAOYSA-N
Compound name
2-[[1-(2-ethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.145156 182.0
[M+Na]+ 373.127098 190.0
[M-H]- 349.130604 191.4
[M+NH4]+ 368.171703 194.1
[M+K]+ 389.101038 185.7
[M+H-H2O]+ 333.135140 171.5
[M+HCOO]- 395.136081 206.4
[M+CH3COO]- 409.151731 221.0
[M+Na-2H]- 371.112546 183.2
[M]+ 350.13733142 184.5
[M]- 350.13842858 184.5
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.