CID 3066773

111106-28-6

Structural Information

Molecular Formula
C21H30Cl2N2O5
SMILES
CC(C)CCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C21H30Cl2N2O5/c1-14(2)9-11-25(10-4-12-30-3)21(29)18(7-8-19(26)27)24-20(28)15-5-6-16(22)17(23)13-15/h5-6,13-14,18H,4,7-12H2,1-3H3,(H,24,28)(H,26,27)
InChIKey
GVNDEBPOTTUDBX-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.15317 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.16045 205.9
[M+Na]+ 483.14239 212.6
[M+NH4]+ 478.18699 208.9
[M+K]+ 499.11633 208.7
[M-H]- 459.14589 204.6
[M+Na-2H]- 481.12784 206.1
[M]+ 460.15262 206.5
[M]- 460.15372 206.5
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

No patent data available for this compound.