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 205.6
[M+Na]+ 435.21554 208.7
[M-H]- 411.21904 209.9
[M+NH4]+ 430.26014 208.9
[M+K]+ 451.18948 199.0
[M+H-H2O]+ 395.22358 190.3
[M+HCOO]- 457.22452 213.6
[M+CH3COO]- 471.24017 210.1
[M+Na-2H]- 433.20099 206.3
[M]+ 412.22577 196.7
[M]- 412.22687 196.7
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

patents stripe