CID 121576

Brn 0903792

Structural Information

Molecular Formula
C25H28FN3O3
SMILES
CCC(=O)N1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H28FN3O3/c1-2-24(31)29-22-7-4-3-6-21(22)28(25(29)32)20-13-16-27(17-14-20)15-5-8-23(30)18-9-11-19(26)12-10-18/h3-4,6-7,9-12,20H,2,5,8,13-17H2,1H3
InChIKey
KZUGJNCVXBGZDA-UHFFFAOYSA-N
Compound name
1-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-3-propanoylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.21146 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.21874 207.5
[M+Na]+ 460.20068 213.9
[M-H]- 436.20418 212.4
[M+NH4]+ 455.24528 215.0
[M+K]+ 476.17462 206.8
[M+H-H2O]+ 420.20872 194.9
[M+HCOO]- 482.20966 220.7
[M+CH3COO]- 496.22531 230.5
[M+Na-2H]- 458.18613 203.6
[M]+ 437.21091 207.4
[M]- 437.21201 207.4
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

No patent data available for this compound.