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]+ 233.07431 150.5
[M+Na]+ 255.05625 159.2
[M-H]- 231.05975 151.7
[M+NH4]+ 250.10085 170.3
[M+K]+ 271.03019 152.8
[M+H-H2O]+ 215.06429 144.6
[M+HCOO]- 277.06523 160.6
[M+CH3COO]- 291.08088 161.3
[M+Na-2H]- 253.04170 152.8
[M]+ 232.06648 144.9
[M]- 232.06758 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.