CID 505663

1,1-dimethylpropyl 4-((3,4-dichlorobenzyl){4-[(dimethylamino)sulfonyl]phenyl}amino)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C24H28Cl2N2O6S
SMILES
CCC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2=CC=C(C=C2)S(=O)(=O)N(C)C
InChI
InChI=1S/C24H28Cl2N2O6S/c1-6-24(2,3)34-23(31)21(29)14-22(30)28(15-16-7-12-19(25)20(26)13-16)17-8-10-18(11-9-17)35(32,33)27(4)5/h7-13H,6,14-15H2,1-5H3
InChIKey
DUKOJZCAFGFBKM-UHFFFAOYSA-N
Compound name
2-methylbutan-2-yl 4-[N-[(3,4-dichlorophenyl)methyl]-4-(dimethylsulfamoyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.1045 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.11178 217.7
[M+Na]+ 565.09372 222.0
[M-H]- 541.09722 226.6
[M+NH4]+ 560.13832 225.3
[M+K]+ 581.06766 219.5
[M+H-H2O]+ 525.10176 211.2
[M+HCOO]- 587.10270 223.7
[M+CH3COO]- 601.11835 252.3
[M+Na-2H]- 563.07917 216.3
[M]+ 542.10395 230.7
[M]- 542.10505 230.7
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.