CID 212335

1-oxa-3-azaspiro(4.5)decane-3-carboxamide, n-(2-dimethylaminoethyl)-7-methyl-2-oxo-, fumarate, (e)-

Structural Information

Molecular Formula
C14H25N3O3
SMILES
C[C@H]1CCCC2(C1)CN(C(=O)O2)C(=O)NCCN(C)C
InChI
InChI=1S/C14H25N3O3/c1-11-5-4-6-14(9-11)10-17(13(19)20-14)12(18)15-7-8-16(2)3/h11H,4-10H2,1-3H3,(H,15,18)/t11-,14?/m0/s1
InChIKey
HLNODHLKAVALTB-ZSOXZCCMSA-N
Compound name
(7S)-N-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1896 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.19688 167.3
[M+Na]+ 306.17882 170.9
[M-H]- 282.18232 172.5
[M+NH4]+ 301.22342 184.5
[M+K]+ 322.15276 171.2
[M+H-H2O]+ 266.18686 160.3
[M+HCOO]- 328.18780 185.4
[M+CH3COO]- 342.20345 206.2
[M+Na-2H]- 304.16427 168.4
[M]+ 283.18905 164.9
[M]- 283.19015 164.9
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.