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 194.3
[M+Na]+ 404.19445 197.0
[M-H]- 380.19795 196.3
[M+NH4]+ 399.23905 200.3
[M+K]+ 420.16839 190.5
[M+H-H2O]+ 364.20249 182.3
[M+HCOO]- 426.20343 202.1
[M+CH3COO]- 440.21908 199.8
[M+Na-2H]- 402.17990 193.8
[M]+ 381.20468 187.2
[M]- 381.20578 187.2
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