CID 3087986

1-(4-methoxyphenyl)-5-(1h-pyrrol-1-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C15H13N3O3
SMILES
COC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N3C=CC=C3
InChI
InChI=1S/C15H13N3O3/c1-21-12-6-4-11(5-7-12)18-14(17-8-2-3-9-17)13(10-16-18)15(19)20/h2-10H,1H3,(H,19,20)
InChIKey
OTORYOLFRODARE-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 161.0
[M+Na]+ 306.084918 171.0
[M-H]- 282.088424 167.4
[M+NH4]+ 301.129523 175.5
[M+K]+ 322.058858 167.1
[M+H-H2O]+ 266.092960 151.9
[M+HCOO]- 328.093901 183.7
[M+CH3COO]- 342.109551 173.5
[M+Na-2H]- 304.070366 162.7
[M]+ 283.09515142 164.7
[M]- 283.09624858 164.7
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.