CID 3065709

108651-08-7

Structural Information

Molecular Formula
C12H12N2OS
SMILES
C1CC2(CC3=CC=CC=C31)C(=O)NC(=S)N2
InChI
InChI=1S/C12H12N2OS/c15-10-12(14-11(16)13-10)6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,13,14,15,16)
InChIKey
YXXPIDQOBPJEDR-UHFFFAOYSA-N
Compound name
2'-sulfanylidenespiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.06703 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.074306 150.5
[M+Na]+ 255.056248 159.2
[M-H]- 231.059754 151.7
[M+NH4]+ 250.100853 170.3
[M+K]+ 271.030188 152.8
[M+H-H2O]+ 215.064290 144.6
[M+HCOO]- 277.065231 160.6
[M+CH3COO]- 291.080881 161.3
[M+Na-2H]- 253.041696 152.8
[M]+ 232.06648142 144.9
[M]- 232.06757858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.