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]+ 352.201946 186.5
[M+Na]+ 374.183888 189.0
[M-H]- 350.187394 188.3
[M+NH4]+ 369.228493 193.6
[M+K]+ 390.157828 181.9
[M+H-H2O]+ 334.191930 174.6
[M+HCOO]- 396.192871 194.5
[M+CH3COO]- 410.208521 192.2
[M+Na-2H]- 372.169336 187.1
[M]+ 351.19412142 177.2
[M]- 351.19521858 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