CID 3054585

Butanoic acid, 4-((3-(acetyl(2,6-dimethylphenyl)amino)-1-oxopropyl)(4-methoxyphenyl)amino)-

Structural Information

Molecular Formula
C24H30N2O5
SMILES
CC1=C(C(=CC=C1)C)N(CCC(=O)N(CCCC(=O)O)C2=CC=C(C=C2)OC)C(=O)C
InChI
InChI=1S/C24H30N2O5/c1-17-7-5-8-18(2)24(17)25(19(3)27)16-14-22(28)26(15-6-9-23(29)30)20-10-12-21(31-4)13-11-20/h5,7-8,10-13H,6,9,14-16H2,1-4H3,(H,29,30)
InChIKey
GEWRJXDOARWFMY-UHFFFAOYSA-N
Compound name
4-[N-[3-(N-acetyl-2,6-dimethylanilino)propanoyl]-4-methoxyanilino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

426.21548 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.22276 203.5
[M+Na]+ 449.20470 212.3
[M+NH4]+ 444.24930 207.3
[M+K]+ 465.17864 208.0
[M-H]- 425.20820 206.0
[M+Na-2H]- 447.19015 207.7
[M]+ 426.21493 205.0
[M]- 426.21603 205.0
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