CID 15957911

7-[(4-chlorophenyl)methylamino]-5-(3-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C26H19ClN4O3
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=NC4=CC(=NN4C(=C3)NCC5=CC=C(C=C5)Cl)C(=O)O
InChI
InChI=1S/C26H19ClN4O3/c27-19-11-9-17(10-12-19)16-28-24-14-22(29-25-15-23(26(32)33)30-31(24)25)18-5-4-8-21(13-18)34-20-6-2-1-3-7-20/h1-15,28H,16H2,(H,32,33)
InChIKey
ZCAZGPLQKLEXBO-UHFFFAOYSA-N
Compound name
7-[(4-chlorophenyl)methylamino]-5-(3-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.11456 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.12184 209.7
[M+Na]+ 493.10378 218.5
[M-H]- 469.10728 218.8
[M+NH4]+ 488.14838 215.3
[M+K]+ 509.07772 209.9
[M+H-H2O]+ 453.11182 197.0
[M+HCOO]- 515.11276 224.3
[M+CH3COO]- 529.12841 217.7
[M+Na-2H]- 491.08923 212.4
[M]+ 470.11401 214.4
[M]- 470.11511 214.4
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.