CID 20836255

(e)-4-((1-(2-piperidinophenyl)-1-buten-1-yl)aminocarbonylmethyl)benzoic acid

Structural Information

Molecular Formula
C24H28N2O3
SMILES
CC/C=C(\C1=CC=CC=C1N2CCCCC2)/NC(=O)CC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C24H28N2O3/c1-2-8-21(20-9-4-5-10-22(20)26-15-6-3-7-16-26)25-23(27)17-18-11-13-19(14-12-18)24(28)29/h4-5,8-14H,2-3,6-7,15-17H2,1H3,(H,25,27)(H,28,29)/b21-8+
InChIKey
GZVRIPWGWKOZJZ-ODCIPOBUSA-N
Compound name
4-[2-oxo-2-[[(E)-1-(2-piperidin-1-ylphenyl)but-1-enyl]amino]ethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

392.21 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 197.6
[M+Na]+ 415.19922 208.0
[M+NH4]+ 410.24382 203.0
[M+K]+ 431.17316 201.3
[M-H]- 391.20272 201.8
[M+Na-2H]- 413.18467 203.8
[M]+ 392.20945 199.9
[M]- 392.21055 199.9
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