CID 28946

18188-86-8

Structural Information

Molecular Formula
C17H24N2O3
SMILES
C1CCN(CC1)CCOC(=O)CCNC2=CC=CC=CC2=O
InChI
InChI=1S/C17H24N2O3/c20-16-8-4-1-3-7-15(16)18-10-9-17(21)22-14-13-19-11-5-2-6-12-19/h1,3-4,7-8H,2,5-6,9-14H2,(H,18,20)
InChIKey
PDMFWWAUKAULTL-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 170.1
[M+Na]+ 327.167898 171.1
[M-H]- 303.171404 174.9
[M+NH4]+ 322.212503 181.8
[M+K]+ 343.141838 173.1
[M+H-H2O]+ 287.175940 161.3
[M+HCOO]- 349.176881 188.3
[M+CH3COO]- 363.192531 205.8
[M+Na-2H]- 325.153346 172.0
[M]+ 304.17813142 165.3
[M]- 304.17922858 165.3
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.