CID 4293

N-(2-thienylmethyl)-2,5-thiophenedisulfonamide

Structural Information

Molecular Formula
C9H10N2O4S4
SMILES
C1=CSC(=C1)CNS(=O)(=O)C2=CC=C(S2)S(=O)(=O)N
InChI
InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)
InChIKey
STOTVDLYLKWVJB-UHFFFAOYSA-N
Compound name
2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

90
Patents

337.95233 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.95961 183.9
[M+Na]+ 360.94155 193.6
[M-H]- 336.94505 188.3
[M+NH4]+ 355.98615 199.3
[M+K]+ 376.91549 184.6
[M+H-H2O]+ 320.94959 178.5
[M+HCOO]- 382.95053 189.4
[M+CH3COO]- 396.96618 203.0
[M+Na-2H]- 358.92700 186.6
[M]+ 337.95178 184.2
[M]- 337.95288 184.2
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

patents stripe