CID 361027

Nsc623761

Structural Information

Molecular Formula
C18H11ClN2O2S
SMILES
CC1=C(C=CC(=C1)Cl)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H11ClN2O2S/c1-9-8-10(19)6-7-13(9)20-18-21-14-15(22)11-4-2-3-5-12(11)16(23)17(14)24-18/h2-8H,1H3,(H,20,21)
InChIKey
NULIEULDUCQMRO-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylanilino)benzo[f][1,3]benzothiazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.02298 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.03026 179.4
[M+Na]+ 377.01220 191.9
[M-H]- 353.01570 187.7
[M+NH4]+ 372.05680 196.7
[M+K]+ 392.98614 184.2
[M+H-H2O]+ 337.02024 173.0
[M+HCOO]- 399.02118 192.2
[M+CH3COO]- 413.03683 191.3
[M+Na-2H]- 374.99765 181.3
[M]+ 354.02243 185.3
[M]- 354.02353 185.3
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.