CID 172849

Dtxsid201340366

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]+ 351.14516 181.7
[M+Na]+ 373.12710 190.2
[M-H]- 349.13060 190.2
[M+NH4]+ 368.17170 193.2
[M+K]+ 389.10104 185.0
[M+H-H2O]+ 333.13514 171.5
[M+HCOO]- 395.13608 206.0
[M+CH3COO]- 409.15173 218.4
[M+Na-2H]- 371.11255 183.4
[M]+ 350.13733 183.8
[M]- 350.13843 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.