CID 109831

68227-57-6

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
1
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]+ 351.14516 183.3
[M+Na]+ 373.12710 195.8
[M+NH4]+ 368.17170 188.8
[M+K]+ 389.10104 191.3
[M-H]- 349.13060 188.1
[M+Na-2H]- 371.11255 190.9
[M]+ 350.13733 186.1
[M]- 350.13843 186.1
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.