CID 3006216

Akos024363230

Structural Information

Molecular Formula
C19H15ClN2O3S
SMILES
CCOC1/C(=C\NC2=NC3=CC=CC=C3S2)/C(=O)C4=C(O1)C=CC(=C4)Cl
InChI
InChI=1S/C19H15ClN2O3S/c1-2-24-18-13(17(23)12-9-11(20)7-8-15(12)25-18)10-21-19-22-14-5-3-4-6-16(14)26-19/h3-10,18H,2H2,1H3,(H,21,22)/b13-10-
InChIKey
PEQUIEKQBBATTB-RAXLEYEMSA-N
Compound name
(3E)-3-[(1,3-benzothiazol-2-ylamino)methylidene]-6-chloro-2-ethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.0492 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.05648 187.4
[M+Na]+ 409.03842 198.6
[M-H]- 385.04192 195.9
[M+NH4]+ 404.08302 201.9
[M+K]+ 425.01236 192.4
[M+H-H2O]+ 369.04646 180.6
[M+HCOO]- 431.04740 199.3
[M+CH3COO]- 445.06305 198.5
[M+Na-2H]- 407.02387 190.1
[M]+ 386.04865 195.0
[M]- 386.04975 195.0
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.