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

9
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 184.0
[M+Na]+ 376.15194 186.5
[M-H]- 352.15544 189.5
[M+NH4]+ 371.19654 193.3
[M+K]+ 392.12588 182.3
[M+H-H2O]+ 336.15998 173.6
[M+HCOO]- 398.16092 199.2
[M+CH3COO]- 412.17657 210.9
[M+Na-2H]- 374.13739 183.7
[M]+ 353.16217 180.8
[M]- 353.16327 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