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]+ 386.16298 192.4
[M+Na]+ 408.14492 196.5
[M-H]- 384.14842 194.3
[M+NH4]+ 403.18952 199.3
[M+K]+ 424.11886 188.3
[M+H-H2O]+ 368.15296 181.0
[M+HCOO]- 430.15390 195.8
[M+CH3COO]- 444.16955 198.1
[M+Na-2H]- 406.13037 191.8
[M]+ 385.15515 185.9
[M]- 385.15625 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