CID 3053885

Brn 0859349

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]+ 405.22850 201.3
[M+Na]+ 427.21044 205.9
[M-H]- 403.21394 205.2
[M+NH4]+ 422.25504 206.4
[M+K]+ 443.18438 199.5
[M+H-H2O]+ 387.21848 188.1
[M+HCOO]- 449.21942 210.8
[M+CH3COO]- 463.23507 207.4
[M+Na-2H]- 425.19589 200.4
[M]+ 404.22067 198.3
[M]- 404.22177 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.