CID 3021472

Benzoic acid, 4-(2-((2-methyl-1-(2-(1-piperidinyl)phenyl)-1-propenyl)amino)-2-oxoethyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.21 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 196.6
[M+Na]+ 415.19922 206.6
[M+NH4]+ 410.24382 201.8
[M+K]+ 431.17316 200.8
[M-H]- 391.20272 200.6
[M+Na-2H]- 413.18467 202.5
[M]+ 392.20945 198.8
[M]- 392.21055 198.8
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