CID 3053887

Brn 0868574

Structural Information

Molecular Formula
C30H32N4O2
SMILES
CC(C)CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C30H32N4O2/c1-22(2)21-27(30(36)33-19-17-32(18-20-33)24-13-7-4-8-14-24)34-28(23-11-5-3-6-12-23)31-26-16-10-9-15-25(26)29(34)35/h3-16,22,27H,17-21H2,1-2H3
InChIKey
HLGBBLWDLIPMFO-UHFFFAOYSA-N
Compound name
3-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.25253 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.25981 221.0
[M+Na]+ 503.24175 223.6
[M-H]- 479.24525 226.9
[M+NH4]+ 498.28635 221.8
[M+K]+ 519.21569 215.5
[M+H-H2O]+ 463.24979 205.4
[M+HCOO]- 525.25073 229.1
[M+CH3COO]- 539.26638 225.0
[M+Na-2H]- 501.22720 219.3
[M]+ 480.25198 216.7
[M]- 480.25308 216.7
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.