CID 15957913

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

Structural Information

Molecular Formula
C19H10Cl3N3O2
SMILES
C1=CC(=CC=C1C2=NC3=CC(=NN3C(=C2)C4=CC(=C(C=C4)Cl)Cl)C(=O)O)Cl
InChI
InChI=1S/C19H10Cl3N3O2/c20-12-4-1-10(2-5-12)15-8-17(11-3-6-13(21)14(22)7-11)25-18(23-15)9-16(24-25)19(26)27/h1-9H,(H,26,27)
InChIKey
MPPPUFGERIPAHF-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-7-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

416.98386 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.99114 189.2
[M+Na]+ 439.97308 202.2
[M-H]- 415.97658 193.9
[M+NH4]+ 435.01768 199.2
[M+K]+ 455.94702 193.6
[M+H-H2O]+ 399.98112 179.5
[M+HCOO]- 461.98206 193.5
[M+CH3COO]- 475.99771 198.6
[M+Na-2H]- 437.95853 189.7
[M]+ 416.98331 195.5
[M]- 416.98441 195.5
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