CID 25157097

Pyrazole derivative 11

Structural Information

Molecular Formula
C22H15Cl2N5O3
SMILES
C1=CC(=CN=C1)NC(=O)C2=NN(C(=C2CC(=O)O)C3=CC=C(C=C3)Cl)C4=C(C=CC=N4)Cl
InChI
InChI=1S/C22H15Cl2N5O3/c23-14-7-5-13(6-8-14)20-16(11-18(30)31)19(22(32)27-15-3-1-9-25-12-15)28-29(20)21-17(24)4-2-10-26-21/h1-10,12H,11H2,(H,27,32)(H,30,31)
InChIKey
RHWMIURMWNGDKU-UHFFFAOYSA-N
Compound name
2-[5-(4-chlorophenyl)-1-(3-chloropyridin-2-yl)-3-(pyridin-3-ylcarbamoyl)pyrazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.0552 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.06248 206.4
[M+Na]+ 490.04442 222.7
[M+NH4]+ 485.08902 211.4
[M+K]+ 506.01836 216.8
[M-H]- 466.04792 211.4
[M+Na-2H]- 488.02987 215.9
[M]+ 467.05465 210.6
[M]- 467.05575 210.6
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.