CID 95237

4403-78-5

Structural Information

Molecular Formula
C16H20N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H20N2O4S2/c1-13-3-7-15(8-4-13)23(19,20)17-11-12-18-24(21,22)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3
InChIKey
HOFGETLODCEHBQ-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

148
Patents

368.08646 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.093736 183.4
[M+Na]+ 391.075678 189.8
[M-H]- 367.079184 189.1
[M+NH4]+ 386.120283 195.2
[M+K]+ 407.049618 183.3
[M+H-H2O]+ 351.083720 175.2
[M+HCOO]- 413.084661 196.4
[M+CH3COO]- 427.100311 214.4
[M+Na-2H]- 389.061126 188.0
[M]+ 368.08591142 186.7
[M]- 368.08700858 186.7
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