CID 20836255

Benzoic acid, 4-(2-oxo-2-((1-(2-(1-piperidinyl)phenyl)-1-butenyl)amino)ethyl)-, (e)-

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 196.7
[M+Na]+ 415.19922 197.3
[M-H]- 391.20272 201.7
[M+NH4]+ 410.24382 204.2
[M+K]+ 431.17316 191.9
[M+H-H2O]+ 375.20726 186.1
[M+HCOO]- 437.20820 210.9
[M+CH3COO]- 451.22385 221.7
[M+Na-2H]- 413.18467 194.3
[M]+ 392.20945 191.1
[M]- 392.21055 191.1
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