CID 474699

(2r)-2-(4-methoxyphenyl)-5-methyl-6-methylsulfanyl-5,7-diazaspiro[2.4]hept-6-en-4-one

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CN1C(=O)C2(C[C@@H]2C3=CC=C(C=C3)OC)N=C1SC
InChI
InChI=1S/C14H16N2O2S/c1-16-12(17)14(15-13(16)19-3)8-11(14)9-4-6-10(18-2)7-5-9/h4-7,11H,8H2,1-3H3/t11-,14?/m1/s1
InChIKey
QLHXIKOJIVBJDR-YNODCEANSA-N
Compound name
(2R)-2-(4-methoxyphenyl)-6-methyl-5-methylsulfanyl-4,6-diazaspiro[2.4]hept-4-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.09326 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 163.3
[M+Na]+ 299.08248 176.0
[M-H]- 275.08598 171.1
[M+NH4]+ 294.12708 177.5
[M+K]+ 315.05642 171.3
[M+H-H2O]+ 259.09052 156.9
[M+HCOO]- 321.09146 180.1
[M+CH3COO]- 335.10711 175.8
[M+Na-2H]- 297.06793 164.0
[M]+ 276.09271 170.8
[M]- 276.09381 170.8
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.