CID 21102154

773887-32-4

Structural Information

Molecular Formula
C20H22FN3O
SMILES
C1CN(CCC1N2CC3=C(C(=CC=C3)F)NC2=O)CC4=CC=CC=C4
InChI
InChI=1S/C20H22FN3O/c21-18-8-4-7-16-14-24(20(25)22-19(16)18)17-9-11-23(12-10-17)13-15-5-2-1-3-6-15/h1-8,17H,9-14H2,(H,22,25)
InChIKey
SQLKOGIAFOQNSY-UHFFFAOYSA-N
Compound name
3-(1-benzylpiperidin-4-yl)-8-fluoro-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

339.17468 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18196 184.3
[M+Na]+ 362.16390 189.2
[M-H]- 338.16740 186.5
[M+NH4]+ 357.20850 193.0
[M+K]+ 378.13784 181.2
[M+H-H2O]+ 322.17194 171.2
[M+HCOO]- 384.17288 193.9
[M+CH3COO]- 398.18853 191.0
[M+Na-2H]- 360.14935 185.2
[M]+ 339.17413 175.0
[M]- 339.17523 175.0
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