CID 65652

Butanserin

Structural Information

Molecular Formula
C24H26FN3O3
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCCN3C(=O)C4=CC=CC=C4NC3=O
InChI
InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)
InChIKey
MLDQSYUQSLUEPG-UHFFFAOYSA-N
Compound name
3-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

423.19583 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20311 204.8
[M+Na]+ 446.18505 218.4
[M+NH4]+ 441.22965 209.5
[M+K]+ 462.15899 210.2
[M-H]- 422.18855 207.2
[M+Na-2H]- 444.17050 210.4
[M]+ 423.19528 207.1
[M]- 423.19638 207.1
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