CID 3960

Lorglumide

Structural Information

Molecular Formula
C22H32Cl2N2O4
SMILES
CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)
InChIKey
IEKOTSCYBBDIJC-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

229
References

603
Patents

458.17392 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.18120 210.0
[M+Na]+ 481.16314 212.7
[M-H]- 457.16664 211.8
[M+NH4]+ 476.20774 219.5
[M+K]+ 497.13708 207.6
[M+H-H2O]+ 441.17118 203.9
[M+HCOO]- 503.17212 219.7
[M+CH3COO]- 517.18777 238.3
[M+Na-2H]- 479.14859 204.0
[M]+ 458.17337 218.0
[M]- 458.17447 218.0
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