CID 15957904

Schembl14014350

Structural Information

Molecular Formula
C27H21N3O4
SMILES
COC1=CC=C(C=C1)C2=CC(=NC3=CC(=NN23)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C27H21N3O4/c1-33-21-11-9-20(10-12-21)25-15-23(28-26-16-24(27(31)32)29-30(25)26)19-7-13-22(14-8-19)34-17-18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,31,32)
InChIKey
CZIADDDASHMHKF-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

451.1532 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.16048 209.2
[M+Na]+ 474.14242 217.4
[M-H]- 450.14592 218.5
[M+NH4]+ 469.18702 214.7
[M+K]+ 490.11636 210.4
[M+H-H2O]+ 434.15046 196.2
[M+HCOO]- 496.15140 227.0
[M+CH3COO]- 510.16705 217.4
[M+Na-2H]- 472.12787 210.8
[M]+ 451.15265 213.4
[M]- 451.15375 213.4
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

patents stripe