CID 3054595

Glycine, n-(4-((4-chlorobenzoyl)(2,6-dimethylphenyl)amino)-1-oxobutyl)-n-methyl-

Structural Information

Molecular Formula
C22H25ClN2O4
SMILES
CC1=C(C(=CC=C1)C)N(CCCC(=O)N(C)CC(=O)O)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C22H25ClN2O4/c1-15-6-4-7-16(2)21(15)25(22(29)17-9-11-18(23)12-10-17)13-5-8-19(26)24(3)14-20(27)28/h4,6-7,9-12H,5,8,13-14H2,1-3H3,(H,27,28)
InChIKey
NQRSCRTWXLHQNC-UHFFFAOYSA-N
Compound name
2-[4-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)butanoyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

416.1503 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.15758 198.2
[M+Na]+ 439.13952 208.8
[M+NH4]+ 434.18412 203.3
[M+K]+ 455.11346 203.4
[M-H]- 415.14302 201.3
[M+Na-2H]- 437.12497 203.4
[M]+ 416.14975 200.6
[M]- 416.15085 200.6
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