CID 174906

72102-93-3

Structural Information

Molecular Formula
C23H24N2O3S
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=C(S3)C=C(C=C4)OCC)C
InChI
InChI=1S/C23H24N2O3S/c1-5-25(6-2)15-8-10-17-14(4)21(23(26)28-19(17)12-15)22-24-18-11-9-16(27-7-3)13-20(18)29-22/h8-13H,5-7H2,1-4H3
InChIKey
SONZSTYCFCLOQC-UHFFFAOYSA-N
Compound name
7-(diethylamino)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

408.15076 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15804 199.5
[M+Na]+ 431.13998 210.6
[M-H]- 407.14348 209.9
[M+NH4]+ 426.18458 213.1
[M+K]+ 447.11392 206.5
[M+H-H2O]+ 391.14802 191.0
[M+HCOO]- 453.14896 217.5
[M+CH3COO]- 467.16461 210.9
[M+Na-2H]- 429.12543 200.9
[M]+ 408.15021 211.2
[M]- 408.15131 211.2
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.