CID 3054589

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

Structural Information

Molecular Formula
C22H26N2O6
SMILES
CC(=O)N(CC(=O)N(CCCC(=O)O)C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC
InChI
InChI=1S/C22H26N2O6/c1-16(25)24(18-8-12-20(30-3)13-9-18)15-21(26)23(14-4-5-22(27)28)17-6-10-19(29-2)11-7-17/h6-13H,4-5,14-15H2,1-3H3,(H,27,28)
InChIKey
NYNAECCTFKFUIU-UHFFFAOYSA-N
Compound name
4-(N-[2-(N-acetyl-4-methoxyanilino)acetyl]-4-methoxyanilino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

414.17908 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18636 197.2
[M+Na]+ 437.16830 205.5
[M+NH4]+ 432.21290 200.8
[M+K]+ 453.14224 202.1
[M-H]- 413.17180 199.2
[M+Na-2H]- 435.15375 201.7
[M]+ 414.17853 198.4
[M]- 414.17963 198.4
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