CID 21249

Disufene

Structural Information

Molecular Formula
C22H36N4O4S2
SMILES
C[N+](C)(C)CCNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCC[N+](C)(C)C
InChI
InChI=1S/C22H36N4O4S2/c1-25(2,3)17-15-23-31(27,28)21-11-7-19(8-12-21)20-9-13-22(14-10-20)32(29,30)24-16-18-26(4,5)6/h7-14,23-24H,15-18H2,1-6H3/q+2
InChIKey
MSATXFBHQVVODW-UHFFFAOYSA-N
Compound name
trimethyl-[2-[[4-[4-[2-(trimethylazaniumyl)ethylsulfamoyl]phenyl]phenyl]sulfonylamino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.2178 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.22508 201.2
[M+Na]+ 507.20702 202.9
[M-H]- 483.21052 208.2
[M+NH4]+ 502.25162 208.3
[M+K]+ 523.18096 187.2
[M+H-H2O]+ 467.21506 196.5
[M+HCOO]- 529.21600 212.6
[M+CH3COO]- 543.23165 232.1
[M+Na-2H]- 505.19247 215.0
[M]+ 484.21725 202.3
[M]- 484.21835 202.3
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.