CID 212040

23804-99-1

Structural Information

Molecular Formula
C14H19N3O2
SMILES
C1CN(CCC12CNC(=O)O2)CCC3=CC=NC=C3
InChI
InChI=1S/C14H19N3O2/c18-13-16-11-14(19-13)4-9-17(10-5-14)8-3-12-1-6-15-7-2-12/h1-2,6-7H,3-5,8-11H2,(H,16,18)
InChIKey
IHRKXILSEMXKFK-UHFFFAOYSA-N
Compound name
8-(2-pyridin-4-ylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14774 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.155016 161.4
[M+Na]+ 284.136958 166.6
[M-H]- 260.140464 164.3
[M+NH4]+ 279.181563 175.3
[M+K]+ 300.110898 163.4
[M+H-H2O]+ 244.145000 151.6
[M+HCOO]- 306.145941 174.9
[M+CH3COO]- 320.161591 170.9
[M+Na-2H]- 282.122406 164.7
[M]+ 261.14719142 155.4
[M]- 261.14828858 155.4
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.