CID 15957945

Schembl4709978

Structural Information

Molecular Formula
C26H18N4O
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(N4C(=C(C=N4)C#N)N=C3)C5=CC=CC=C5
InChI
InChI=1S/C26H18N4O/c27-15-22-16-29-30-25(21-9-5-2-6-10-21)24(17-28-26(22)30)20-11-13-23(14-12-20)31-18-19-7-3-1-4-8-19/h1-14,16-17H,18H2
InChIKey
CQBSSJDIYSHDLL-UHFFFAOYSA-N
Compound name
7-phenyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

402.14807 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15535 202.1
[M+Na]+ 425.13729 213.5
[M-H]- 401.14079 207.7
[M+NH4]+ 420.18189 208.7
[M+K]+ 441.11123 201.0
[M+H-H2O]+ 385.14533 182.2
[M+HCOO]- 447.14627 217.8
[M+CH3COO]- 461.16192 209.0
[M+Na-2H]- 423.12274 204.3
[M]+ 402.14752 198.1
[M]- 402.14862 198.2
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