CID 132098

Chembl3989472

Structural Information

Molecular Formula
C20H34N2O4
SMILES
CCCCCCC1CCC2(C1CCCCCCC(=O)O)C(=O)NC(=O)N2
InChI
InChI=1S/C20H34N2O4/c1-2-3-4-7-10-15-13-14-20(18(25)21-19(26)22-20)16(15)11-8-5-6-9-12-17(23)24/h15-16H,2-14H2,1H3,(H,23,24)(H2,21,22,25,26)
InChIKey
FFUQYYWTQVXVNM-UHFFFAOYSA-N
Compound name
7-(8-hexyl-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

366.25186 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.25914 193.0
[M+Na]+ 389.24108 195.7
[M-H]- 365.24458 190.5
[M+NH4]+ 384.28568 206.5
[M+K]+ 405.21502 190.2
[M+H-H2O]+ 349.24912 186.5
[M+HCOO]- 411.25006 204.2
[M+CH3COO]- 425.26571 209.5
[M+Na-2H]- 387.22653 187.0
[M]+ 366.25131 190.7
[M]- 366.25241 190.7
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

patents stripe