CID 2513276

3-(3-methoxyphenyl)-1-(4-methylphenyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)O
InChI
InChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)20-11-16(18(21)22)17(19-20)13-4-3-5-15(10-13)23-2/h3-11H,1-2H3,(H,21,22)
InChIKey
NBUIXPYWAMPNLW-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 172.4
[M+Na]+ 331.10532 187.2
[M+NH4]+ 326.14992 179.1
[M+K]+ 347.07926 182.4
[M-H]- 307.10882 176.5
[M+Na-2H]- 329.09077 181.1
[M]+ 308.11555 175.6
[M]- 308.11665 175.6
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.