CID 474697

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

Structural Information

Molecular Formula
C14H14N2O2S
SMILES
CC(=O)N1C(=O)C2(C[C@@H]2C3=CC=CC=C3)N=C1SC
InChI
InChI=1S/C14H14N2O2S/c1-9(17)16-12(18)14(15-13(16)19-2)8-11(14)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-,14?/m1/s1
InChIKey
GRYOCWDOFNHEDV-YNODCEANSA-N
Compound name
(2R)-6-acetyl-5-methylsulfanyl-2-phenyl-4,6-diazaspiro[2.4]hept-4-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.0776 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.084876 163.0
[M+Na]+ 297.066818 174.9
[M-H]- 273.070324 170.6
[M+NH4]+ 292.111423 177.0
[M+K]+ 313.040758 170.3
[M+H-H2O]+ 257.074860 156.6
[M+HCOO]- 319.075801 179.1
[M+CH3COO]- 333.091451 175.1
[M+Na-2H]- 295.052266 163.4
[M]+ 274.07705142 168.8
[M]- 274.07814858 168.8
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.