CID 63153

65183-10-0

Structural Information

Molecular Formula
C18H14N4O
SMILES
CC1=NN(C(=C1)N2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C18H14N4O/c1-13-11-17(22(20-13)14-7-3-2-4-8-14)21-12-19-16-10-6-5-9-15(16)18(21)23/h2-12H,1H3
InChIKey
XPMPLTLZATVSAQ-UHFFFAOYSA-N
Compound name
3-(5-methyl-2-phenylpyrazol-3-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.11676 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12404 169.9
[M+Na]+ 325.10598 188.9
[M+NH4]+ 320.15058 177.8
[M+K]+ 341.07992 181.6
[M-H]- 301.10948 175.3
[M+Na-2H]- 323.09143 181.5
[M]+ 302.11621 174.4
[M]- 302.11731 174.4
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.