CID 3822

Ketanserin

Structural Information

Molecular Formula
C22H22FN3O3
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O
InChI
InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
InChIKey
FPCCSQOGAWCVBH-UHFFFAOYSA-N
Compound name
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3658
References

26505
Patents

395.16452 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17180 195.6
[M+Na]+ 418.15374 202.3
[M-H]- 394.15724 198.7
[M+NH4]+ 413.19834 202.0
[M+K]+ 434.12768 194.4
[M+H-H2O]+ 378.16178 182.4
[M+HCOO]- 440.16272 206.9
[M+CH3COO]- 454.17837 202.5
[M+Na-2H]- 416.13919 195.9
[M]+ 395.16397 191.0
[M]- 395.16507 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe