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 205.1
[M+Na]+ 449.20470 207.6
[M-H]- 425.20820 212.3
[M+NH4]+ 444.24930 214.5
[M+K]+ 465.17864 206.9
[M+H-H2O]+ 409.21274 195.3
[M+HCOO]- 471.21368 226.1
[M+CH3COO]- 485.22933 238.9
[M+Na-2H]- 447.19015 201.4
[M]+ 426.21493 211.0
[M]- 426.21603 211.0
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