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 198.8
[M+Na]+ 437.16830 201.0
[M-H]- 413.17180 205.9
[M+NH4]+ 432.21290 208.2
[M+K]+ 453.14224 201.4
[M+H-H2O]+ 397.17634 188.8
[M+HCOO]- 459.17728 220.7
[M+CH3COO]- 473.19293 234.0
[M+Na-2H]- 435.15375 197.0
[M]+ 414.17853 205.0
[M]- 414.17963 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