CID 3006215

(3e)-3-[(1,3-benzothiazol-2-ylamino)methylene]-2-ethoxy-6-methyl-chroman-4-one

Structural Information

Molecular Formula
C20H18N2O3S
SMILES
CCOC1/C(=C\NC2=NC3=CC=CC=C3S2)/C(=O)C4=C(O1)C=CC(=C4)C
InChI
InChI=1S/C20H18N2O3S/c1-3-24-19-14(18(23)13-10-12(2)8-9-16(13)25-19)11-21-20-22-15-6-4-5-7-17(15)26-20/h4-11,19H,3H2,1-2H3,(H,21,22)/b14-11-
InChIKey
SUGHYZAZXKUNLF-KAMYIIQDSA-N
Compound name
(3E)-3-[(1,3-benzothiazol-2-ylamino)methylidene]-2-ethoxy-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.10382 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11110 184.3
[M+Na]+ 389.09304 194.4
[M-H]- 365.09654 192.8
[M+NH4]+ 384.13764 198.7
[M+K]+ 405.06698 189.2
[M+H-H2O]+ 349.10108 176.7
[M+HCOO]- 411.10202 200.5
[M+CH3COO]- 425.11767 195.5
[M+Na-2H]- 387.07849 187.1
[M]+ 366.10327 190.0
[M]- 366.10437 190.0
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.