CID 373734

Nsc650633

Structural Information

Molecular Formula
C18H24N2O4S3
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCSCCNS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C18H24N2O4S3/c1-15-3-7-17(8-4-15)26(21,22)19-11-13-25-14-12-20-27(23,24)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKey
XTANFPBRKRLUDZ-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.0898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.09708 198.4
[M+Na]+ 451.07902 203.2
[M-H]- 427.08252 202.1
[M+NH4]+ 446.12362 207.3
[M+K]+ 467.05296 194.0
[M+H-H2O]+ 411.08706 189.6
[M+HCOO]- 473.08800 204.8
[M+CH3COO]- 487.10365 224.5
[M+Na-2H]- 449.06447 202.1
[M]+ 428.08925 201.2
[M]- 428.09035 201.2
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.