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

0
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 173.6
[M+Na]+ 343.12642 178.9
[M-H]- 319.12992 177.2
[M+NH4]+ 338.17102 186.0
[M+K]+ 359.10036 176.4
[M+H-H2O]+ 303.13446 165.5
[M+HCOO]- 365.13540 185.9
[M+CH3COO]- 379.15105 199.0
[M+Na-2H]- 341.11187 173.9
[M]+ 320.13665 169.8
[M]- 320.13775 169.8
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

patents stripe