CID 58375

101468-12-6

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC1CCCCN1CCCC2=C(OC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C18H23NO3/c1-13-7-4-5-11-19(13)12-6-9-15-14-8-2-3-10-16(14)22-17(15)18(20)21/h2-3,8,10,13H,4-7,9,11-12H2,1H3,(H,20,21)
InChIKey
BQUYKNSAYAWYRN-UHFFFAOYSA-N
Compound name
3-[3-(2-methylpiperidin-1-yl)propyl]-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 171.4
[M+Na]+ 324.15702 183.7
[M+NH4]+ 319.20162 178.9
[M+K]+ 340.13096 178.9
[M-H]- 300.16052 175.5
[M+Na-2H]- 322.14247 175.7
[M]+ 301.16725 174.2
[M]- 301.16835 174.2
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

No patent data available for this compound.