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]+ 296.160476 165.7
[M+Na]+ 318.142418 168.0
[M-H]- 294.145924 169.4
[M+NH4]+ 313.187023 177.9
[M+K]+ 334.116358 171.0
[M+H-H2O]+ 278.150460 156.5
[M+HCOO]- 340.151401 181.1
[M+CH3COO]- 354.167051 200.1
[M+Na-2H]- 316.127866 167.1
[M]+ 295.15265142 160.8
[M]- 295.15374858 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.