CID 474693

(2s)-5-methyl-2-phenyl-5,7-diazaspiro[2.4]heptane-4,6-dione

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CN1C(=O)C2(C[C@H]2C3=CC=CC=C3)NC1=O
InChI
InChI=1S/C12H12N2O2/c1-14-10(15)12(13-11(14)16)7-9(12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,16)/t9-,12?/m0/s1
InChIKey
IOGUTDHRJPSYCP-QHGLUPRGSA-N
Compound name
(2S)-6-methyl-2-phenyl-4,6-diazaspiro[2.4]heptane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 152.4
[M+Na]+ 239.07909 163.9
[M-H]- 215.08259 158.5
[M+NH4]+ 234.12369 167.0
[M+K]+ 255.05303 158.8
[M+H-H2O]+ 199.08713 145.7
[M+HCOO]- 261.08807 171.9
[M+CH3COO]- 275.10372 164.7
[M+Na-2H]- 237.06454 155.7
[M]+ 216.08932 152.7
[M]- 216.09042 152.7
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.