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 171.4
[M+Na]+ 325.10598 183.7
[M-H]- 301.10948 178.1
[M+NH4]+ 320.15058 183.6
[M+K]+ 341.07992 176.2
[M+H-H2O]+ 285.11402 160.0
[M+HCOO]- 347.11496 192.3
[M+CH3COO]- 361.13061 183.1
[M+Na-2H]- 323.09143 177.3
[M]+ 302.11621 174.2
[M]- 302.11731 174.2
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.