CID 380739

Nsc666446

Structural Information

Molecular Formula
C15H18N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCNS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C15H18N2O4S2/c1-12-3-7-14(8-4-12)22(18,19)16-11-17-23(20,21)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3
InChIKey
VBEPEBXZDYHLMW-UHFFFAOYSA-N
Compound name
4-methyl-N-[[(4-methylphenyl)sulfonylamino]methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0708 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07808 179.3
[M+Na]+ 377.06002 186.2
[M-H]- 353.06352 185.3
[M+NH4]+ 372.10462 191.7
[M+K]+ 393.03396 179.9
[M+H-H2O]+ 337.06806 171.4
[M+HCOO]- 399.06900 192.6
[M+CH3COO]- 413.08465 211.5
[M+Na-2H]- 375.04547 184.4
[M]+ 354.07025 182.3
[M]- 354.07135 182.3
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.