CID 3057776

1-oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4-hydroxy-3-(methoxycarbonyl))benzyl-, succinate

Structural Information

Molecular Formula
C16H20N2O5
SMILES
COC(=O)C1=C(C=CC(=C1)CN2CCC3(CC2)CNC(=O)O3)O
InChI
InChI=1S/C16H20N2O5/c1-22-14(20)12-8-11(2-3-13(12)19)9-18-6-4-16(5-7-18)10-17-15(21)23-16/h2-3,8,19H,4-7,9-10H2,1H3,(H,17,21)
InChIKey
ICAGYFARTTUBQB-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-5-[(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.1372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 174.5
[M+Na]+ 343.12642 183.7
[M+NH4]+ 338.17102 180.9
[M+K]+ 359.10036 180.0
[M-H]- 319.12992 176.4
[M+Na-2H]- 341.11187 178.2
[M]+ 320.13665 176.0
[M]- 320.13775 176.0
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

patents stripe