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]+ 217.097146 152.4
[M+Na]+ 239.079088 163.9
[M-H]- 215.082594 158.5
[M+NH4]+ 234.123693 167.0
[M+K]+ 255.053028 158.8
[M+H-H2O]+ 199.087130 145.7
[M+HCOO]- 261.088071 171.9
[M+CH3COO]- 275.103721 164.7
[M+Na-2H]- 237.064536 155.7
[M]+ 216.08932142 152.7
[M]- 216.09041858 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

literature stripe

Patent stripe

No patent data available for this compound.