CID 3054593

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

Structural Information

Molecular Formula
C26H28N2O7
SMILES
CC(C(=O)N(CCCC(=O)O)C1=CC=C(C=C1)OC)N(C2=CC=C(C=C2)OC)C(=O)C3=CC=CO3
InChI
InChI=1S/C26H28N2O7/c1-18(25(31)27(16-4-7-24(29)30)19-8-12-21(33-2)13-9-19)28(26(32)23-6-5-17-35-23)20-10-14-22(34-3)15-11-20/h5-6,8-15,17-18H,4,7,16H2,1-3H3,(H,29,30)
InChIKey
SARFNITYIPQTMT-UHFFFAOYSA-N
Compound name
4-[N-[2-[N-(furan-2-carbonyl)-4-methoxyanilino]propanoyl]-4-methoxyanilino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

480.18964 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.19692 213.1
[M+Na]+ 503.17886 220.9
[M+NH4]+ 498.22346 216.0
[M+K]+ 519.15280 220.2
[M-H]- 479.18236 217.6
[M+Na-2H]- 501.16431 217.7
[M]+ 480.18909 215.0
[M]- 480.19019 215.0
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