CID 370539

Nsc643766

Structural Information

Molecular Formula
C13H12N2O3
SMILES
CC1(CC12C(=O)NC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C13H12N2O3/c1-12(8-5-3-2-4-6-8)7-13(12)9(16)14-11(18)15-10(13)17/h2-6H,7H2,1H3,(H2,14,15,16,17,18)
InChIKey
PCPBKBKGHBUCNZ-UHFFFAOYSA-N
Compound name
2-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

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 161.6
[M+Na]+ 267.07402 172.4
[M-H]- 243.07752 166.3
[M+NH4]+ 262.11862 174.4
[M+K]+ 283.04796 167.6
[M+H-H2O]+ 227.08206 155.2
[M+HCOO]- 289.08300 177.3
[M+CH3COO]- 303.09865 172.3
[M+Na-2H]- 265.05947 166.6
[M]+ 244.08425 159.9
[M]- 244.08535 159.9
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.