CID 139595240

Dithianon roi 10

Structural Information

Molecular Formula
C14H12N2O4S
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)SC(CC(=O)N)C(=O)N
InChI
InChI=1S/C14H12N2O4S/c15-12(18)6-11(14(16)20)21-10-5-9(17)7-3-1-2-4-8(7)13(10)19/h1-5,11H,6H2,(H2,15,18)(H2,16,20)
InChIKey
HIRUEGUONLQABQ-UHFFFAOYSA-N
Compound name
2-(1,4-dioxonaphthalen-2-yl)sulfanylbutanediamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

304.0518 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05908 165.5
[M+Na]+ 327.04102 173.8
[M+NH4]+ 322.08562 171.2
[M+K]+ 343.01496 168.5
[M-H]- 303.04452 166.3
[M+Na-2H]- 325.02647 167.8
[M]+ 304.05125 166.8
[M]- 304.05235 166.8
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.