CID 373717

Nsc650618

Structural Information

Molecular Formula
C22H28N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CCN(CC=C)S(=O)(=O)C2=CC=C(C=C2)C)CC=C
InChI
InChI=1S/C22H28N2O4S2/c1-5-15-23(29(25,26)21-11-7-19(3)8-12-21)17-18-24(16-6-2)30(27,28)22-13-9-20(4)10-14-22/h5-14H,1-2,15-18H2,3-4H3
InChIKey
UDNSUTPXNIYEDB-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]ethyl]-N-prop-2-enylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.14905 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.15633 206.9
[M+Na]+ 471.13827 211.3
[M-H]- 447.14177 214.4
[M+NH4]+ 466.18287 216.5
[M+K]+ 487.11221 205.5
[M+H-H2O]+ 431.14631 197.4
[M+HCOO]- 493.14725 219.1
[M+CH3COO]- 507.16290 236.3
[M+Na-2H]- 469.12372 208.0
[M]+ 448.14850 213.4
[M]- 448.14960 213.4
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.