CID 163585

90146-05-7

Structural Information

Molecular Formula
C20H14N2O4S
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)C3=C(C4=C(C=C(C=C4)OC)OC3=O)C#N
InChI
InChI=1S/C20H14N2O4S/c1-3-25-12-5-7-15-17(9-12)27-19(22-15)18-14(10-21)13-6-4-11(24-2)8-16(13)26-20(18)23/h4-9H,3H2,1-2H3
InChIKey
RLIOSGKNGRNYPS-UHFFFAOYSA-N
Compound name
3-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-2-oxochromene-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

378.0674 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.074676 194.0
[M+Na]+ 401.056618 209.4
[M-H]- 377.060124 201.5
[M+NH4]+ 396.101223 206.7
[M+K]+ 417.030558 202.3
[M+H-H2O]+ 361.064660 179.8
[M+HCOO]- 423.065601 208.2
[M+CH3COO]- 437.081251 204.3
[M+Na-2H]- 399.042066 196.0
[M]+ 378.06685142 198.9
[M]- 378.06794858 198.9
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.