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]+ 382.212506 194.3
[M+Na]+ 404.194448 197.0
[M-H]- 380.197954 196.3
[M+NH4]+ 399.239053 200.3
[M+K]+ 420.168388 190.5
[M+H-H2O]+ 364.202490 182.3
[M+HCOO]- 426.203431 202.1
[M+CH3COO]- 440.219081 199.8
[M+Na-2H]- 402.179896 193.8
[M]+ 381.20468142 187.2
[M]- 381.20577858 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