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
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 182.0
[M+Na]+ 373.12710 190.0
[M-H]- 349.13060 191.4
[M+NH4]+ 368.17170 194.1
[M+K]+ 389.10104 185.7
[M+H-H2O]+ 333.13514 171.5
[M+HCOO]- 395.13608 206.4
[M+CH3COO]- 409.15173 221.0
[M+Na-2H]- 371.11255 183.2
[M]+ 350.13733 184.5
[M]- 350.13843 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.