CID 146160020

R 53393

Structural Information

Molecular Formula
C24H32FN3O3
SMILES
C1CCC2C(C1)C(=O)N(C(=O)N2)CCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H32FN3O3/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/h7-10,18,20-21H,1-6,11-16H2,(H,26,31)
InChIKey
VHRMFIRFRFMWMS-UHFFFAOYSA-N
Compound name
3-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.24277 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.25005 208.7
[M+Na]+ 452.23199 209.4
[M-H]- 428.23549 209.3
[M+NH4]+ 447.27659 213.1
[M+K]+ 468.20593 202.2
[M+H-H2O]+ 412.24003 195.1
[M+HCOO]- 474.24097 212.1
[M+CH3COO]- 488.25662 227.8
[M+Na-2H]- 450.21744 202.9
[M]+ 429.24222 197.7
[M]- 429.24332 197.7
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

No patent data available for this compound.