CID 16205473

84271-53-4

Structural Information

Molecular Formula
C23H16N2O5S2
SMILES
COC1=CC2=C(C=C1)N=C(S2)C3=CC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)OC3=O
InChI
InChI=1S/C23H16N2O5S2/c1-29-16-9-10-19-21(13-16)31-22(24-19)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
ANCBQOCCNJLKDZ-UHFFFAOYSA-N
Compound name
N-[3-(6-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 202.6
[M+Na]+ 487.03927 219.0
[M+NH4]+ 482.08387 210.2
[M+K]+ 503.01321 209.3
[M-H]- 463.04277 210.3
[M+Na-2H]- 485.02472 211.9
[M]+ 464.04950 208.4
[M]- 464.05060 208.4
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.