CID 3066772

111106-24-2

Structural Information

Molecular Formula
C22H32Cl2N2O5
SMILES
CC(C)CCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C22H32Cl2N2O5/c1-15(2)6-4-11-26(12-5-13-31-3)22(30)19(9-10-20(27)28)25-21(29)16-7-8-17(23)18(24)14-16/h7-8,14-15,19H,4-6,9-13H2,1-3H3,(H,25,29)(H,27,28)
InChIKey
JLMNAIASRDQCNZ-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(4-methylpentyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.16882 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.17610 210.8
[M+Na]+ 497.15804 213.2
[M-H]- 473.16154 212.8
[M+NH4]+ 492.20264 219.6
[M+K]+ 513.13198 209.5
[M+H-H2O]+ 457.16608 204.9
[M+HCOO]- 519.16702 220.0
[M+CH3COO]- 533.18267 241.2
[M+Na-2H]- 495.14349 204.2
[M]+ 474.16827 219.8
[M]- 474.16937 219.8
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.