CID 17511950

949321-46-4

Structural Information

Molecular Formula
C13H20N2O4S2
SMILES
CN(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N
InChI
InChI=1S/C13H20N2O4S2/c1-15(11-7-3-2-4-8-11)21(18,19)13-10-6-5-9-12(13)20(14,16)17/h5-6,9-11H,2-4,7-8H2,1H3,(H2,14,16,17)
InChIKey
AAUVVCHGNHSEJG-UHFFFAOYSA-N
Compound name
2-N-cyclohexyl-2-N-methylbenzene-1,2-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.08646 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09374 172.5
[M+Na]+ 355.07568 176.6
[M-H]- 331.07918 178.1
[M+NH4]+ 350.12028 185.7
[M+K]+ 371.04962 172.6
[M+H-H2O]+ 315.08372 165.1
[M+HCOO]- 377.08466 182.3
[M+CH3COO]- 391.10031 208.1
[M+Na-2H]- 353.06113 175.4
[M]+ 332.08591 171.0
[M]- 332.08701 171.0
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.