CID 15957893

Schembl14014333

Structural Information

Molecular Formula
C20H14ClN3O3
SMILES
COC1=CC=CC=C1C2=NC3=CC(=NN3C(=C2)C4=CC(=CC=C4)Cl)C(=O)O
InChI
InChI=1S/C20H14ClN3O3/c1-27-18-8-3-2-7-14(18)15-10-17(12-5-4-6-13(21)9-12)24-19(22-15)11-16(23-24)20(25)26/h2-11H,1H3,(H,25,26)
InChIKey
RYAXHGRSSRSUGW-UHFFFAOYSA-N
Compound name
7-(3-chlorophenyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.07236 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07964 186.8
[M+Na]+ 402.06158 198.4
[M-H]- 378.06508 193.5
[M+NH4]+ 397.10618 197.3
[M+K]+ 418.03552 191.0
[M+H-H2O]+ 362.06962 176.4
[M+HCOO]- 424.07056 201.6
[M+CH3COO]- 438.08621 197.3
[M+Na-2H]- 400.04703 189.4
[M]+ 379.07181 192.8
[M]- 379.07291 192.8
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