CID 63485

Brn 0841761

Structural Information

Molecular Formula
C20H18N4O
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1C3=CC(=NN3C4=CC=CC=C4)C
InChI
InChI=1S/C20H18N4O/c1-3-18-21-17-12-8-7-11-16(17)20(25)23(18)19-13-14(2)22-24(19)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3
InChIKey
KWTCSOJAYWQTDZ-UHFFFAOYSA-N
Compound name
2-ethyl-3-(5-methyl-2-phenylpyrazol-3-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14807 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.155346 181.1
[M+Na]+ 353.137288 193.4
[M-H]- 329.140794 187.9
[M+NH4]+ 348.181893 192.5
[M+K]+ 369.111228 185.5
[M+H-H2O]+ 313.145330 169.5
[M+HCOO]- 375.146271 201.3
[M+CH3COO]- 389.161921 192.3
[M+Na-2H]- 351.122736 185.2
[M]+ 330.14752142 184.9
[M]- 330.14861858 184.9
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.