CID 474694

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

Structural Information

Molecular Formula
C12H12N2OS
SMILES
CSC1=NC2(C[C@@H]2C3=CC=CC=C3)C(=O)N1
InChI
InChI=1S/C12H12N2OS/c1-16-11-13-10(15)12(14-11)7-9(12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14,15)/t9-,12?/m1/s1
InChIKey
WMJZSKWGLGJWQQ-PKEIRNPWSA-N
Compound name
(2R)-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

232.06703 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.074306 150.8
[M+Na]+ 255.056248 162.6
[M-H]- 231.059754 157.0
[M+NH4]+ 250.100853 165.6
[M+K]+ 271.030188 157.4
[M+H-H2O]+ 215.064290 144.5
[M+HCOO]- 277.065231 166.9
[M+CH3COO]- 291.080881 163.1
[M+Na-2H]- 253.041696 153.3
[M]+ 232.06648142 153.7
[M]- 232.06757858 153.7
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.