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
2
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]+ 379.07468 194.0
[M+Na]+ 401.05662 209.4
[M-H]- 377.06012 201.5
[M+NH4]+ 396.10122 206.7
[M+K]+ 417.03056 202.3
[M+H-H2O]+ 361.06466 179.8
[M+HCOO]- 423.06560 208.2
[M+CH3COO]- 437.08125 204.3
[M+Na-2H]- 399.04207 196.0
[M]+ 378.06685 198.9
[M]- 378.06795 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.