CID 65937

Dexloxiglumide

Structural Information

Molecular Formula
C21H30Cl2N2O5
SMILES
CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)/t18-/m1/s1
InChIKey
QNQZBKQEIFTHFZ-GOSISDBHSA-N
Compound name
(4R)-4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

307
References

1528
Patents

460.15317 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.16045 206.5
[M+Na]+ 483.14239 213.5
[M+NH4]+ 478.18699 209.6
[M+K]+ 499.11633 208.8
[M-H]- 459.14589 205.4
[M+Na-2H]- 481.12784 206.9
[M]+ 460.15262 207.1
[M]- 460.15372 207.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe