CID 15957914

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid,7-(3,5-dichlorophenyl)-5-(4-phenoxyphenyl)-

Structural Information

Molecular Formula
C25H15Cl2N3O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC4=CC(=NN4C(=C3)C5=CC(=CC(=C5)Cl)Cl)C(=O)O
InChI
InChI=1S/C25H15Cl2N3O3/c26-17-10-16(11-18(27)12-17)23-13-21(28-24-14-22(25(31)32)29-30(23)24)15-6-8-20(9-7-15)33-19-4-2-1-3-5-19/h1-14H,(H,31,32)
InChIKey
NCCWFYKFYAUOTO-UHFFFAOYSA-N
Compound name
7-(3,5-dichlorophenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

475.04904 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.05632 208.7
[M+Na]+ 498.03826 220.1
[M-H]- 474.04176 217.4
[M+NH4]+ 493.08286 215.3
[M+K]+ 514.01220 211.1
[M+H-H2O]+ 458.04630 196.5
[M+HCOO]- 520.04724 217.5
[M+CH3COO]- 534.06289 217.2
[M+Na-2H]- 496.02371 209.3
[M]+ 475.04849 215.6
[M]- 475.04959 215.6
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

patents stripe