CID 3053881

Brn 0863871

Structural Information

Molecular Formula
C27H26N4O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C27H26N4O2/c32-25(30-19-17-29(18-20-30)22-11-5-2-6-12-22)15-16-31-26(21-9-3-1-4-10-21)28-24-14-8-7-13-23(24)27(31)33/h1-14H,15-20H2
InChIKey
ISYCMUFFWOQJFS-UHFFFAOYSA-N
Compound name
3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.20557 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.21285 210.9
[M+Na]+ 461.19479 215.6
[M-H]- 437.19829 217.2
[M+NH4]+ 456.23939 213.6
[M+K]+ 477.16873 206.8
[M+H-H2O]+ 421.20283 195.2
[M+HCOO]- 483.20377 222.0
[M+CH3COO]- 497.21942 216.3
[M+Na-2H]- 459.18024 212.4
[M]+ 438.20502 206.6
[M]- 438.20612 206.6
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.