CID 3076091

130045-46-4

Structural Information

Molecular Formula
C23H27N3O4
SMILES
CC1(COC2=CC=CC=C2O1)C(CN3CCC(CC3)N4C5=CC=CC=C5NC4=O)O
InChI
InChI=1S/C23H27N3O4/c1-23(15-29-19-8-4-5-9-20(19)30-23)21(27)14-25-12-10-16(11-13-25)26-18-7-3-2-6-17(18)24-22(26)28/h2-9,16,21,27H,10-15H2,1H3,(H,24,28)
InChIKey
HVOUMFGXRWDXPO-UHFFFAOYSA-N
Compound name
3-[1-[2-hydroxy-2-(3-methyl-2H-1,4-benzodioxin-3-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

409.20016 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.207436 197.8
[M+Na]+ 432.189378 203.7
[M-H]- 408.192884 203.3
[M+NH4]+ 427.233983 205.0
[M+K]+ 448.163318 199.5
[M+H-H2O]+ 392.197420 186.5
[M+HCOO]- 454.198361 205.5
[M+CH3COO]- 468.214011 204.8
[M+Na-2H]- 430.174826 198.9
[M]+ 409.19961142 195.2
[M]- 409.20070858 195.2
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

patents stripe