CID 500246

Nsc675737

Structural Information

Molecular Formula
C13H12N2O3
SMILES
CC1C(C12C(=O)NC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C13H12N2O3/c1-7-9(8-5-3-2-4-6-8)13(7)10(16)14-12(18)15-11(13)17/h2-7,9H,1H3,(H2,14,15,16,17,18)
InChIKey
WZAMMYXDWWFNGH-UHFFFAOYSA-N
Compound name
1-methyl-2-phenyl-5,7-diazaspiro[2.5]octane-4,6,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 160.8
[M+Na]+ 267.07402 171.6
[M-H]- 243.07752 165.4
[M+NH4]+ 262.11862 171.9
[M+K]+ 283.04796 165.7
[M+H-H2O]+ 227.08206 153.8
[M+HCOO]- 289.08300 176.8
[M+CH3COO]- 303.09865 190.6
[M+Na-2H]- 265.05947 164.1
[M]+ 244.08425 158.9
[M]- 244.08535 158.9
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.