CID 63452

Compound 740-722

Structural Information

Molecular Formula
C26H28N4O
SMILES
C1CN(CCN1CCN2C(NC(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H28N4O/c31-26-23-13-7-8-14-24(23)30(25(27-26)21-9-3-1-4-10-21)20-17-28-15-18-29(19-16-28)22-11-5-2-6-12-22/h1-14,25H,15-20H2,(H,27,31)
InChIKey
ZMKSENRPTWRVSW-UHFFFAOYSA-N
Compound name
2-phenyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

412.22632 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23360 206.5
[M+Na]+ 435.21554 222.7
[M+NH4]+ 430.26014 213.8
[M+K]+ 451.18948 212.2
[M-H]- 411.21904 213.6
[M+Na-2H]- 433.20099 215.8
[M]+ 412.22577 210.9
[M]- 412.22687 210.9
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

patents stripe