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]+ 275.08488 163.0
[M+Na]+ 297.06682 174.9
[M-H]- 273.07032 170.6
[M+NH4]+ 292.11142 177.0
[M+K]+ 313.04076 170.3
[M+H-H2O]+ 257.07486 156.6
[M+HCOO]- 319.07580 179.1
[M+CH3COO]- 333.09145 175.1
[M+Na-2H]- 295.05227 163.4
[M]+ 274.07705 168.8
[M]- 274.07815 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.