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 196.2
[M+Na]+ 415.19922 196.5
[M-H]- 391.20272 201.3
[M+NH4]+ 410.24382 203.6
[M+K]+ 431.17316 191.8
[M+H-H2O]+ 375.20726 185.9
[M+HCOO]- 437.20820 209.5
[M+CH3COO]- 451.22385 222.6
[M+Na-2H]- 413.18467 192.8
[M]+ 392.20945 190.1
[M]- 392.21055 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