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]+ 233.07431 150.8
[M+Na]+ 255.05625 162.6
[M-H]- 231.05975 157.0
[M+NH4]+ 250.10085 165.6
[M+K]+ 271.03019 157.4
[M+H-H2O]+ 215.06429 144.5
[M+HCOO]- 277.06523 166.9
[M+CH3COO]- 291.08088 163.1
[M+Na-2H]- 253.04170 153.3
[M]+ 232.06648 153.7
[M]- 232.06758 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.