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]+ 303.133926 170.5
[M+Na]+ 325.115868 175.6
[M-H]- 301.119374 174.5
[M+NH4]+ 320.160473 185.4
[M+K]+ 341.089808 171.8
[M+H-H2O]+ 285.123910 161.8
[M+HCOO]- 347.124851 185.3
[M+CH3COO]- 361.140501 196.2
[M+Na-2H]- 323.101316 171.0
[M]+ 302.12610142 165.1
[M]- 302.12719858 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.