CID 15957921

Schembl14014385

Structural Information

Molecular Formula
C27H21N3O3
SMILES
CCOC(=O)C1=C2N=CC(=C(N2N=C1)C3=CC(=CC=C3)OC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H21N3O3/c1-2-32-27(31)24-18-29-30-25(23(17-28-26(24)30)19-10-5-3-6-11-19)20-12-9-15-22(16-20)33-21-13-7-4-8-14-21/h3-18H,2H2,1H3
InChIKey
AWORNOCSJYJBAB-UHFFFAOYSA-N
Compound name
ethyl 7-(3-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

435.1583 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16558 206.9
[M+Na]+ 458.14752 215.1
[M-H]- 434.15102 217.0
[M+NH4]+ 453.19212 213.7
[M+K]+ 474.12146 207.8
[M+H-H2O]+ 418.15556 193.4
[M+HCOO]- 480.15650 226.1
[M+CH3COO]- 494.17215 215.6
[M+Na-2H]- 456.13297 209.3
[M]+ 435.15775 210.9
[M]- 435.15885 210.9
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