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]+ 321.144476 173.6
[M+Na]+ 343.126418 178.9
[M-H]- 319.129924 177.2
[M+NH4]+ 338.171023 186.0
[M+K]+ 359.100358 176.4
[M+H-H2O]+ 303.134460 165.5
[M+HCOO]- 365.135401 185.9
[M+CH3COO]- 379.151051 199.0
[M+Na-2H]- 341.111866 173.9
[M]+ 320.13665142 169.8
[M]- 320.13774858 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