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]+ 277.100536 163.3
[M+Na]+ 299.082478 176.0
[M-H]- 275.085984 171.1
[M+NH4]+ 294.127083 177.5
[M+K]+ 315.056418 171.3
[M+H-H2O]+ 259.090520 156.9
[M+HCOO]- 321.091461 180.1
[M+CH3COO]- 335.107111 175.8
[M+Na-2H]- 297.067926 164.0
[M]+ 276.09271142 170.8
[M]- 276.09380858 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.