CID 3070091

1-(2-hydroxy-2-phenylethyl)-3'-methylspiro(piperidine-4,4'(1'h)-quinazolin)-2'(3'h)-one

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CN1C(=O)NC2=CC=CC=C2C13CCN(CC3)CC(C4=CC=CC=C4)O
InChI
InChI=1S/C21H25N3O2/c1-23-20(26)22-18-10-6-5-9-17(18)21(23)11-13-24(14-12-21)15-19(25)16-7-3-2-4-8-16/h2-10,19,25H,11-15H2,1H3,(H,22,26)
InChIKey
QIHMYFUNGPFYKX-UHFFFAOYSA-N
Compound name
1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 188.1
[M+Na]+ 374.18389 201.1
[M+NH4]+ 369.22849 196.5
[M+K]+ 390.15783 191.6
[M-H]- 350.18739 191.7
[M+Na-2H]- 372.16934 195.0
[M]+ 351.19412 191.0
[M]- 351.19522 191.0
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

No patent data available for this compound.