CID 374895

Nsc653435

Structural Information

Molecular Formula
C17H17Cl2NO5S
SMILES
CN(C)S(=O)(=O)C1=CC(=CC(=C1OC)C(=O)C2=C(C=CC(=C2)Cl)OC)Cl
InChI
InChI=1S/C17H17Cl2NO5S/c1-20(2)26(22,23)15-9-11(19)8-13(17(15)25-4)16(21)12-7-10(18)5-6-14(12)24-3/h5-9H,1-4H3
InChIKey
CBQMZMHIYOHEBL-UHFFFAOYSA-N
Compound name
5-chloro-3-(5-chloro-2-methoxybenzoyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.02045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.02773 186.2
[M+Na]+ 440.00967 196.0
[M-H]- 416.01317 195.2
[M+NH4]+ 435.05427 199.4
[M+K]+ 455.98361 191.9
[M+H-H2O]+ 400.01771 180.6
[M+HCOO]- 462.01865 195.5
[M+CH3COO]- 476.03430 225.7
[M+Na-2H]- 437.99512 186.2
[M]+ 417.01990 198.5
[M]- 417.02100 198.5
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.