CID 44149545

Benzenesulfonamide, n-(3-(5-methoxy-2-benzothiazolyl)-2-oxo-2h-1-benzopyran-7-yl)-

Structural Information

Molecular Formula
C23H16N2O5S2
SMILES
COC1=CC2=C(C=C1)SC(=N2)C3=CC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)OC3=O
InChI
InChI=1S/C23H16N2O5S2/c1-29-16-9-10-21-19(13-16)24-22(31-21)18-11-14-7-8-15(12-20(14)30-23(18)26)25-32(27,28)17-5-3-2-4-6-17/h2-13,25H,1H3
InChIKey
GTHZLUQACZMHPV-UHFFFAOYSA-N
Compound name
N-[3-(5-methoxy-1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.05005 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.05733 206.6
[M+Na]+ 487.03927 218.4
[M-H]- 463.04277 218.4
[M+NH4]+ 482.08387 216.6
[M+K]+ 503.01321 213.0
[M+H-H2O]+ 447.04731 199.1
[M+HCOO]- 509.04825 219.9
[M+CH3COO]- 523.06390 216.8
[M+Na-2H]- 485.02472 213.0
[M]+ 464.04950 215.9
[M]- 464.05060 215.9
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.