CID 125511689

Benzyl 2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C16H18N2O4
SMILES
C1CN(CCC12C(=O)CC(=O)N2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H18N2O4/c19-13-10-14(20)17-16(13)6-8-18(9-7-16)15(21)22-11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,20)
InChIKey
VPJZMSFWAAAWEH-UHFFFAOYSA-N
Compound name
benzyl 2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 170.5
[M+Na]+ 325.11587 175.6
[M-H]- 301.11937 174.5
[M+NH4]+ 320.16047 185.4
[M+K]+ 341.08981 171.8
[M+H-H2O]+ 285.12391 161.8
[M+HCOO]- 347.12485 185.3
[M+CH3COO]- 361.14050 196.2
[M+Na-2H]- 323.10132 171.0
[M]+ 302.12610 165.1
[M]- 302.12720 165.1
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.