CID 15957944

Schembl14014445

Structural Information

Molecular Formula
C28H23N3O3
SMILES
CCOC(=O)C1=C2N=CC(=C(N2N=C1)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C28H23N3O3/c1-2-33-28(32)25-18-30-31-26(22-11-7-4-8-12-22)24(17-29-27(25)31)21-13-15-23(16-14-21)34-19-20-9-5-3-6-10-20/h3-18H,2,19H2,1H3
InChIKey
TUDPFENABKMQMW-UHFFFAOYSA-N
Compound name
ethyl 7-phenyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

449.17395 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.18123 211.3
[M+Na]+ 472.16317 218.9
[M-H]- 448.16667 221.1
[M+NH4]+ 467.20777 217.4
[M+K]+ 488.13711 211.5
[M+H-H2O]+ 432.17121 197.5
[M+HCOO]- 494.17215 230.0
[M+CH3COO]- 508.18780 219.4
[M+Na-2H]- 470.14862 213.1
[M]+ 449.17340 215.5
[M]- 449.17450 215.5
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