CID 3054591

N-(n-acetyl-2-(p-anisidino)propionyl)-4-(p-anisidino)butyric acid

Structural Information

Molecular Formula
C23H28N2O6
SMILES
CC(C(=O)N(CCCC(=O)O)C1=CC=C(C=C1)OC)N(C2=CC=C(C=C2)OC)C(=O)C
InChI
InChI=1S/C23H28N2O6/c1-16(25(17(2)26)19-9-13-21(31-4)14-10-19)23(29)24(15-5-6-22(27)28)18-7-11-20(30-3)12-8-18/h7-14,16H,5-6,15H2,1-4H3,(H,27,28)
InChIKey
FLOQFUQPTYMCKK-UHFFFAOYSA-N
Compound name
4-[N-[2-(N-acetyl-4-methoxyanilino)propanoyl]-4-methoxyanilino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

428.19473 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.20201 203.0
[M+Na]+ 451.18395 204.4
[M-H]- 427.18745 209.9
[M+NH4]+ 446.22855 211.7
[M+K]+ 467.15789 205.3
[M+H-H2O]+ 411.19199 193.0
[M+HCOO]- 473.19293 223.5
[M+CH3COO]- 487.20858 237.8
[M+Na-2H]- 449.16940 199.5
[M]+ 428.19418 208.9
[M]- 428.19528 208.9
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