CID 98819

Nsc 167872

Structural Information

Molecular Formula
C23H26FN3O3
SMILES
C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CO)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H26FN3O3/c24-18-9-7-17(8-10-18)22(29)6-3-13-25-14-11-19(12-15-25)27-21-5-2-1-4-20(21)26(16-28)23(27)30/h1-2,4-5,7-10,19,28H,3,6,11-16H2
InChIKey
ACQRYVMWVNCRDN-UHFFFAOYSA-N
Compound name
1-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-3-(hydroxymethyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.19583 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.20311 201.4
[M+Na]+ 434.18505 214.2
[M+NH4]+ 429.22965 206.4
[M+K]+ 450.15899 208.5
[M-H]- 410.18855 203.4
[M+Na-2H]- 432.17050 206.4
[M]+ 411.19528 203.5
[M]- 411.19638 203.5
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.