CID 15957948

Schembl14014460

Structural Information

Molecular Formula
C25H16N4O
SMILES
C1=CC=C(C=C1)C2=C(C=NC3=C(C=NN23)C#N)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C25H16N4O/c26-15-20-16-28-29-24(19-7-3-1-4-8-19)23(17-27-25(20)29)18-11-13-22(14-12-18)30-21-9-5-2-6-10-21/h1-14,16-17H
InChIKey
QVXHWYHCMAYMIS-UHFFFAOYSA-N
Compound name
6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

388.13242 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13970 198.5
[M+Na]+ 411.12164 210.3
[M-H]- 387.12514 204.2
[M+NH4]+ 406.16624 205.6
[M+K]+ 427.09558 197.9
[M+H-H2O]+ 371.12968 178.7
[M+HCOO]- 433.13062 214.4
[M+CH3COO]- 447.14627 205.8
[M+Na-2H]- 409.10709 201.1
[M]+ 388.13187 194.2
[M]- 388.13297 194.2
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