CID 63802

Compound 776-278

Structural Information

Molecular Formula
C27H29N3O2
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CCN3C(NC(=O)C4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C27H29N3O2/c31-26-23-13-7-8-14-24(23)30(25(28-26)21-9-3-1-4-10-21)20-19-29-17-15-27(32,16-18-29)22-11-5-2-6-12-22/h1-14,25,32H,15-20H2,(H,28,31)
InChIKey
DIVBQYZZJREIDP-UHFFFAOYSA-N
Compound name
1-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

427.22598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.233256 209.0
[M+Na]+ 450.215198 212.3
[M-H]- 426.218704 213.7
[M+NH4]+ 445.259803 214.4
[M+K]+ 466.189138 203.3
[M+H-H2O]+ 410.223240 194.4
[M+HCOO]- 472.224181 216.9
[M+CH3COO]- 486.239831 213.6
[M+Na-2H]- 448.200646 209.8
[M]+ 427.22543142 200.0
[M]- 427.22652858 200.0
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