CID 63256

Brn 0894859

Structural Information

Molecular Formula
C19H16N4O
SMILES
CC1=NN(C(=C1)N2C(=NC3=CC=CC=C3C2=O)C)C4=CC=CC=C4
InChI
InChI=1S/C19H16N4O/c1-13-12-18(23(21-13)15-8-4-3-5-9-15)22-14(2)20-17-11-7-6-10-16(17)19(22)24/h3-12H,1-2H3
InChIKey
JVDKUKAUYKLJOS-UHFFFAOYSA-N
Compound name
2-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13242 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 174.8
[M+Na]+ 339.12164 194.0
[M+NH4]+ 334.16624 182.6
[M+K]+ 355.09558 186.7
[M-H]- 315.12514 180.3
[M+Na-2H]- 337.10709 185.9
[M]+ 316.13187 179.4
[M]- 316.13297 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.