CID 373716

Nsc650617

Structural Information

Molecular Formula
C19H24N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCN(CC=C)S(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C19H24N2O4S2/c1-4-14-21(27(24,25)19-11-7-17(3)8-12-19)15-13-20-26(22,23)18-9-5-16(2)6-10-18/h4-12,20H,1,13-15H2,2-3H3
InChIKey
PAGGCYIMQFERAQ-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.11774 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12502 195.4
[M+Na]+ 431.10696 200.8
[M-H]- 407.11046 202.0
[M+NH4]+ 426.15156 206.0
[M+K]+ 447.08090 194.6
[M+H-H2O]+ 391.11500 186.5
[M+HCOO]- 453.11594 208.0
[M+CH3COO]- 467.13159 225.4
[M+Na-2H]- 429.09241 198.2
[M]+ 408.11719 200.2
[M]- 408.11829 200.3
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.