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]+ 284.10298 161.0
[M+Na]+ 306.08492 171.0
[M-H]- 282.08842 167.4
[M+NH4]+ 301.12952 175.5
[M+K]+ 322.05886 167.1
[M+H-H2O]+ 266.09296 151.9
[M+HCOO]- 328.09390 183.7
[M+CH3COO]- 342.10955 173.5
[M+Na-2H]- 304.07037 162.7
[M]+ 283.09515 164.7
[M]- 283.09625 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.