CID 65852

Tomoglumide

Structural Information

Molecular Formula
C24H38N2O4
SMILES
CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)C)C
InChI
InChI=1S/C24H38N2O4/c1-5-7-9-15-26(16-10-8-6-2)24(30)21(13-14-22(27)28)25-23(29)20-12-11-18(3)19(4)17-20/h11-12,17,21H,5-10,13-16H2,1-4H3,(H,25,29)(H,27,28)
InChIKey
UPKUMLKWNJTSMG-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethylbenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

41
Patents

418.28317 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.29045 209.6
[M+Na]+ 441.27239 210.0
[M-H]- 417.27589 211.3
[M+NH4]+ 436.31699 219.0
[M+K]+ 457.24633 208.0
[M+H-H2O]+ 401.28043 200.8
[M+HCOO]- 463.28137 227.6
[M+CH3COO]- 477.29702 237.2
[M+Na-2H]- 439.25784 203.2
[M]+ 418.28262 214.5
[M]- 418.28372 214.5
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.