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]+ 452.160476 209.2
[M+Na]+ 474.142418 217.4
[M-H]- 450.145924 218.5
[M+NH4]+ 469.187023 214.7
[M+K]+ 490.116358 210.4
[M+H-H2O]+ 434.150460 196.2
[M+HCOO]- 496.151401 227.0
[M+CH3COO]- 510.167051 217.4
[M+Na-2H]- 472.127866 210.8
[M]+ 451.15265142 213.4
[M]- 451.15374858 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