CID 18967741

130566-58-4

Structural Information

Molecular Formula
C21H23NO4
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C21H23NO4/c23-20(18-6-2-3-7-19(18)21(24)25)16-8-10-17(11-9-16)26-15-14-22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-15H2,(H,24,25)
InChIKey
GCJCKBKILAIZKT-UHFFFAOYSA-N
Compound name
2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

353.16272 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 185.0
[M+Na]+ 376.15194 197.1
[M+NH4]+ 371.19654 191.2
[M+K]+ 392.12588 190.4
[M-H]- 352.15544 189.0
[M+Na-2H]- 374.13739 192.2
[M]+ 353.16217 187.6
[M]- 353.16327 187.6
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