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
2
Annotation Hits

1
References

183
Patents

423.19583 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.203106 204.2
[M+Na]+ 446.185048 209.9
[M-H]- 422.188554 206.9
[M+NH4]+ 441.229653 209.3
[M+K]+ 462.158988 201.6
[M+H-H2O]+ 406.193090 190.5
[M+HCOO]- 468.194031 214.7
[M+CH3COO]- 482.209681 210.1
[M+Na-2H]- 444.170496 203.5
[M]+ 423.19528142 200.2
[M]- 423.19637858 200.2
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