CID 3061387

Kf 5908

Structural Information

Molecular Formula
C21H24ClN3O2
SMILES
C1CN(CCC1N2CC3=CC=CC=C3NC2=O)CC(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C21H24ClN3O2/c22-17-7-5-15(6-8-17)20(26)14-24-11-9-18(10-12-24)25-13-16-3-1-2-4-19(16)23-21(25)27/h1-8,18,20,26H,9-14H2,(H,23,27)
InChIKey
ORFSHJLTINQEGN-UHFFFAOYSA-N
Compound name
3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

385.1557 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.162976 192.4
[M+Na]+ 408.144918 196.5
[M-H]- 384.148424 194.3
[M+NH4]+ 403.189523 199.3
[M+K]+ 424.118858 188.3
[M+H-H2O]+ 368.152960 181.0
[M+HCOO]- 430.153901 195.8
[M+CH3COO]- 444.169551 198.1
[M+Na-2H]- 406.130366 191.8
[M]+ 385.15515142 185.9
[M]- 385.15624858 185.9
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

patents stripe