CID 3741885

3-(4-chlorophenyl)-1-(4-methoxyphenyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C17H13ClN2O3/c1-23-14-8-6-13(7-9-14)20-16(17(21)22)10-15(19-20)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22)
InChIKey
UAIOEVXISNTUHQ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.06146 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06874 172.7
[M+Na]+ 351.05068 182.8
[M-H]- 327.05418 179.5
[M+NH4]+ 346.09528 185.8
[M+K]+ 367.02462 176.7
[M+H-H2O]+ 311.05872 163.8
[M+HCOO]- 373.05966 189.1
[M+CH3COO]- 387.07531 184.1
[M+Na-2H]- 349.03613 173.9
[M]+ 328.06091 176.8
[M]- 328.06201 176.8
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.