CID 10357212

6,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C19H12N4
SMILES
C1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C#N)N=C2)C4=CC=CC=C4
InChI
InChI=1S/C19H12N4/c20-11-16-12-22-23-18(15-9-5-2-6-10-15)17(13-21-19(16)23)14-7-3-1-4-8-14/h1-10,12-13H
InChIKey
YZBQFEALGQGLKD-UHFFFAOYSA-N
Compound name
6,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.1062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11348 172.7
[M+Na]+ 319.09542 185.3
[M-H]- 295.09892 176.7
[M+NH4]+ 314.14002 184.0
[M+K]+ 335.06936 174.8
[M+H-H2O]+ 279.10346 154.7
[M+HCOO]- 341.10440 189.9
[M+CH3COO]- 355.12005 182.0
[M+Na-2H]- 317.08087 177.5
[M]+ 296.10565 168.1
[M]- 296.10675 168.1
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