CID 68706

Lonazolac

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)O
InChI
InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)
InChIKey
XVUQHFRQHBLHQD-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

55
References

6725
Patents

312.06656 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 170.9
[M+Na]+ 335.05578 186.9
[M+NH4]+ 330.10038 178.7
[M+K]+ 351.02972 180.6
[M-H]- 311.05928 175.5
[M+Na-2H]- 333.04123 180.6
[M]+ 312.06601 174.8
[M]- 312.06711 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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