CID 18967741

2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoic acid

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

23
Patents

353.16272 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.169996 184.0
[M+Na]+ 376.151938 186.5
[M-H]- 352.155444 189.5
[M+NH4]+ 371.196543 193.3
[M+K]+ 392.125878 182.3
[M+H-H2O]+ 336.159980 173.6
[M+HCOO]- 398.160921 199.2
[M+CH3COO]- 412.176571 210.9
[M+Na-2H]- 374.137386 183.7
[M]+ 353.16217142 180.8
[M]- 353.16326858 180.8
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