CID 3053888

Brn 0861484

Structural Information

Molecular Formula
C25H30N4O2
SMILES
CC(C)CC(C(=O)N1CCN(CC1)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C25H30N4O2/c1-18(2)17-22(25(31)28-15-13-27(3)14-16-28)29-23(19-9-5-4-6-10-19)26-21-12-8-7-11-20(21)24(29)30/h4-12,18,22H,13-17H2,1-3H3
InChIKey
DLPQYLJIHDGSGW-UHFFFAOYSA-N
Compound name
3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.23688 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.24416 205.6
[M+Na]+ 441.22610 209.7
[M-H]- 417.22960 209.3
[M+NH4]+ 436.27070 210.1
[M+K]+ 457.20004 203.1
[M+H-H2O]+ 401.23414 192.2
[M+HCOO]- 463.23508 214.7
[M+CH3COO]- 477.25073 211.3
[M+Na-2H]- 439.21155 204.2
[M]+ 418.23633 202.8
[M]- 418.23743 202.8
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.