CID 389917

Nsc686568

Structural Information

Molecular Formula
C13H12N2O2S2
SMILES
C1CN=C(N1)SS(=O)(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C13H12N2O2S2/c16-19(17,18-13-14-8-9-15-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,14,15)
InChIKey
NDWQPJGIMYYXAX-UHFFFAOYSA-N
Compound name
2-naphthalen-1-ylsulfonylsulfanyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.03403 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04131 163.4
[M+Na]+ 315.02325 173.4
[M-H]- 291.02675 167.2
[M+NH4]+ 310.06785 179.3
[M+K]+ 330.99719 166.9
[M+H-H2O]+ 275.03129 157.5
[M+HCOO]- 337.03223 172.7
[M+CH3COO]- 351.04788 174.3
[M+Na-2H]- 313.00870 166.6
[M]+ 292.03348 164.6
[M]- 292.03458 164.6
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.