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]+ 331.15535 181.1
[M+Na]+ 353.13729 193.4
[M-H]- 329.14079 187.9
[M+NH4]+ 348.18189 192.5
[M+K]+ 369.11123 185.5
[M+H-H2O]+ 313.14533 169.5
[M+HCOO]- 375.14627 201.3
[M+CH3COO]- 389.16192 192.3
[M+Na-2H]- 351.12274 185.2
[M]+ 330.14752 184.9
[M]- 330.14862 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.