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
3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-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]+ 329.068736 172.7
[M+Na]+ 351.050678 182.8
[M-H]- 327.054184 179.5
[M+NH4]+ 346.095283 185.8
[M+K]+ 367.024618 176.7
[M+H-H2O]+ 311.058720 163.8
[M+HCOO]- 373.059661 189.1
[M+CH3COO]- 387.075311 184.1
[M+Na-2H]- 349.036126 173.9
[M]+ 328.06091142 176.8
[M]- 328.06200858 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.