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 192.5
[M-H]- 350.18739 189.5
[M+NH4]+ 369.22849 197.9
[M+K]+ 390.15783 185.5
[M+H-H2O]+ 334.19193 176.5
[M+HCOO]- 396.19287 196.1
[M+CH3COO]- 410.20852 194.4
[M+Na-2H]- 372.16934 190.1
[M]+ 351.19412 179.9
[M]- 351.19522 179.9
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.