CID 45792223

3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]propanoic acid

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC(=O)NC1(CCCCCC1)C2=NOC(=N2)CCC(=O)O
InChI
InChI=1S/C14H21N3O4/c1-10(18)16-14(8-4-2-3-5-9-14)13-15-11(21-17-13)6-7-12(19)20/h2-9H2,1H3,(H,16,18)(H,19,20)
InChIKey
SVABWIGQKHBHMC-UHFFFAOYSA-N
Compound name
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 165.7
[M+Na]+ 318.14242 168.0
[M-H]- 294.14592 169.4
[M+NH4]+ 313.18702 177.9
[M+K]+ 334.11636 171.0
[M+H-H2O]+ 278.15046 156.5
[M+HCOO]- 340.15140 181.1
[M+CH3COO]- 354.16705 200.1
[M+Na-2H]- 316.12787 167.1
[M]+ 295.15265 160.8
[M]- 295.15375 160.8
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.