CID 3061388

79106-46-0

Structural Information

Molecular Formula
C22H27N3O3
SMILES
COC1=CC=C(C=C1)C(CN2CCC(CC2)N3CC4=CC=CC=C4NC3=O)O
InChI
InChI=1S/C22H27N3O3/c1-28-19-8-6-16(7-9-19)21(26)15-24-12-10-18(11-13-24)25-14-17-4-2-3-5-20(17)23-22(25)27/h2-9,18,21,26H,10-15H2,1H3,(H,23,27)
InChIKey
OVPWQOQFTIDOQX-UHFFFAOYSA-N
Compound name
3-[1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

381.20523 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 195.1
[M+Na]+ 404.19445 207.6
[M+NH4]+ 399.23905 201.1
[M+K]+ 420.16839 200.5
[M-H]- 380.19795 198.8
[M+Na-2H]- 402.17990 200.4
[M]+ 381.20468 197.7
[M]- 381.20578 197.7
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