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]+ 410.20744 197.8
[M+Na]+ 432.18938 203.7
[M-H]- 408.19288 203.3
[M+NH4]+ 427.23398 205.0
[M+K]+ 448.16332 199.5
[M+H-H2O]+ 392.19742 186.5
[M+HCOO]- 454.19836 205.5
[M+CH3COO]- 468.21401 204.8
[M+Na-2H]- 430.17483 198.9
[M]+ 409.19961 195.2
[M]- 409.20071 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