CID 15957908

Schembl14014357

Structural Information

Molecular Formula
C20H13Cl2N3O3
SMILES
COC1=CC=CC(=C1)C2=NC3=CC(=NN3C(=C2)C4=CC(=CC(=C4)Cl)Cl)C(=O)O
InChI
InChI=1S/C20H13Cl2N3O3/c1-28-15-4-2-3-11(7-15)16-9-18(12-5-13(21)8-14(22)6-12)25-19(23-16)10-17(24-25)20(26)27/h2-10H,1H3,(H,26,27)
InChIKey
VOOKEFFAGPKVJU-UHFFFAOYSA-N
Compound name
7-(3,5-dichlorophenyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

413.0334 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.04068 191.7
[M+Na]+ 436.02262 204.4
[M-H]- 412.02612 197.9
[M+NH4]+ 431.06722 201.7
[M+K]+ 451.99656 196.4
[M+H-H2O]+ 396.03066 181.7
[M+HCOO]- 458.03160 201.3
[M+CH3COO]- 472.04725 201.7
[M+Na-2H]- 434.00807 192.8
[M]+ 413.03285 199.5
[M]- 413.03395 199.5
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