CID 405943

Chembl458653

Structural Information

Molecular Formula
C18H10ClNO3S2
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)C3=NS(=O)(=O)C4=C(S3)C=C(C=C4)Cl
InChI
InChI=1S/C18H10ClNO3S2/c19-14-7-8-16-15(10-14)24-18(20-25(16,22)23)17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKey
SYLBPRPLMKKTLJ-UHFFFAOYSA-N
Compound name
(6-chloro-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)-naphthalen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

386.97906 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.98634 178.6
[M+Na]+ 409.96828 190.3
[M-H]- 385.97178 185.7
[M+NH4]+ 405.01288 194.3
[M+K]+ 425.94222 182.9
[M+H-H2O]+ 369.97632 172.2
[M+HCOO]- 431.97726 183.9
[M+CH3COO]- 445.99291 189.3
[M+Na-2H]- 407.95373 184.4
[M]+ 386.97851 184.9
[M]- 386.97961 184.9
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.