CID 50896520

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

Structural Information

Molecular Formula
C13H7Cl2N3O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=CC=NC3=CC(=NN23)C(=O)O
InChI
InChI=1S/C13H7Cl2N3O2/c14-7-1-2-8(9(15)5-7)11-3-4-16-12-6-10(13(19)20)17-18(11)12/h1-6H,(H,19,20)
InChIKey
OSDBYYLUMLCDKB-UHFFFAOYSA-N
Compound name
7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.99155 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.99883 161.9
[M+Na]+ 329.98077 175.2
[M-H]- 305.98427 164.9
[M+NH4]+ 325.02537 176.5
[M+K]+ 345.95471 168.0
[M+H-H2O]+ 289.98881 154.0
[M+HCOO]- 351.98975 172.7
[M+CH3COO]- 366.00540 173.8
[M+Na-2H]- 327.96622 166.0
[M]+ 306.99100 167.5
[M]- 306.99210 167.5
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

No patent data available for this compound.