CID 63745

Brn 1605570

Structural Information

Molecular Formula
C25H24N4O
SMILES
C1CN(CCN1CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H24N4O/c30-25-22-13-7-8-14-23(22)26-24(29(25)21-11-5-2-6-12-21)19-27-15-17-28(18-16-27)20-9-3-1-4-10-20/h1-14H,15-19H2
InChIKey
QGUYSLMRQLUNOW-UHFFFAOYSA-N
Compound name
3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.195 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20228 199.9
[M+Na]+ 419.18422 218.6
[M+NH4]+ 414.22882 207.7
[M+K]+ 435.15816 207.6
[M-H]- 395.18772 207.9
[M+Na-2H]- 417.16967 211.8
[M]+ 396.19445 205.1
[M]- 396.19555 205.1
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.