CID 63190

Brn 3619363

Structural Information

Molecular Formula
C17H12N4O
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)N3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C17H12N4O/c22-17-14-8-4-5-9-15(14)18-12-20(17)16-10-11-19-21(16)13-6-2-1-3-7-13/h1-12H
InChIKey
LLTSWKPTMMBXBT-UHFFFAOYSA-N
Compound name
3-(2-phenylpyrazol-3-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1011 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10838 166.0
[M+Na]+ 311.09032 177.9
[M-H]- 287.09382 172.5
[M+NH4]+ 306.13492 178.5
[M+K]+ 327.06426 170.6
[M+H-H2O]+ 271.09836 154.6
[M+HCOO]- 333.09930 187.3
[M+CH3COO]- 347.11495 177.9
[M+Na-2H]- 309.07577 173.3
[M]+ 288.10055 168.0
[M]- 288.10165 168.0
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

No patent data available for this compound.