CID 3061386

79106-43-7

Structural Information

Molecular Formula
C21H25N3O2
SMILES
C1CN(CCC1N2CC3=CC=CC=C3NC2=O)CC(C4=CC=CC=C4)O
InChI
InChI=1S/C21H25N3O2/c25-20(16-6-2-1-3-7-16)15-23-12-10-18(11-13-23)24-14-17-8-4-5-9-19(17)22-21(24)26/h1-9,18,20,25H,10-15H2,(H,22,26)
InChIKey
YOXAEVSTKBLUOT-UHFFFAOYSA-N
Compound name
3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.19467 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 186.5
[M+Na]+ 374.18389 189.0
[M-H]- 350.18739 188.3
[M+NH4]+ 369.22849 193.6
[M+K]+ 390.15783 181.9
[M+H-H2O]+ 334.19193 174.6
[M+HCOO]- 396.19287 194.5
[M+CH3COO]- 410.20852 192.2
[M+Na-2H]- 372.16934 187.1
[M]+ 351.19412 177.2
[M]- 351.19522 177.2
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