CID 3053885

70540-71-5

Structural Information

Molecular Formula
C24H28N4O2
SMILES
CC(C)C(C(=O)N1CCN(CC1)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C24H28N4O2/c1-17(2)21(24(30)27-15-13-26(3)14-16-27)28-22(18-9-5-4-6-10-18)25-20-12-8-7-11-19(20)23(28)29/h4-12,17,21H,13-16H2,1-3H3
InChIKey
HZPJCXZFYBITDY-UHFFFAOYSA-N
Compound name
3-[3-methyl-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.22122 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.228496 201.3
[M+Na]+ 427.210438 205.9
[M-H]- 403.213944 205.2
[M+NH4]+ 422.255043 206.4
[M+K]+ 443.184378 199.5
[M+H-H2O]+ 387.218480 188.1
[M+HCOO]- 449.219421 210.8
[M+CH3COO]- 463.235071 207.4
[M+Na-2H]- 425.195886 200.4
[M]+ 404.22067142 198.3
[M]- 404.22176858 198.3
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.