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

6
Patents

414.17908 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.186356 198.8
[M+Na]+ 437.168298 201.0
[M-H]- 413.171804 205.9
[M+NH4]+ 432.212903 208.2
[M+K]+ 453.142238 201.4
[M+H-H2O]+ 397.176340 188.8
[M+HCOO]- 459.177281 220.7
[M+CH3COO]- 473.192931 234.0
[M+Na-2H]- 435.153746 197.0
[M]+ 414.17853142 205.0
[M]- 414.17962858 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