CID 25198931

Chembl510455

Structural Information

Molecular Formula
C19H14ClNO3S2
SMILES
CC1=CC2=C(C=C1Cl)SC(NS2(=O)=O)C(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H14ClNO3S2/c1-11-8-17-16(10-15(11)20)25-19(21-26(17,23)24)18(22)14-7-6-12-4-2-3-5-13(12)9-14/h2-10,19,21H,1H3
InChIKey
DZIHLSNSMOYORU-UHFFFAOYSA-N
Compound name
(6-chloro-7-methyl-1,1-dioxo-2,3-dihydro-1lambda6,4,2-benzodithiazin-3-yl)-naphthalen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

403.01038 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.01766 182.1
[M+Na]+ 425.99960 192.5
[M-H]- 402.00310 187.4
[M+NH4]+ 421.04420 196.6
[M+K]+ 441.97354 184.4
[M+H-H2O]+ 386.00764 176.3
[M+HCOO]- 448.00858 184.1
[M+CH3COO]- 462.02423 191.5
[M+Na-2H]- 423.98505 185.9
[M]+ 403.00983 186.1
[M]- 403.01093 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.