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]+ 428.23326 209.0
[M+Na]+ 450.21520 212.3
[M-H]- 426.21870 213.7
[M+NH4]+ 445.25980 214.4
[M+K]+ 466.18914 203.3
[M+H-H2O]+ 410.22324 194.4
[M+HCOO]- 472.22418 216.9
[M+CH3COO]- 486.23983 213.6
[M+Na-2H]- 448.20065 209.8
[M]+ 427.22543 200.0
[M]- 427.22653 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