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

4
Patents

392.21 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.217276 196.2
[M+Na]+ 415.199218 196.5
[M-H]- 391.202724 201.3
[M+NH4]+ 410.243823 203.6
[M+K]+ 431.173158 191.8
[M+H-H2O]+ 375.207260 185.9
[M+HCOO]- 437.208201 209.5
[M+CH3COO]- 451.223851 222.6
[M+Na-2H]- 413.184666 192.8
[M]+ 392.20945142 190.1
[M]- 392.21054858 190.1
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