CID 379469

Nsc664022

Structural Information

Molecular Formula
C20H15ClN2O8S
SMILES
COC1=C2C(=C(C3=C1C=CO3)OC)OC=C(C2=O)S(=O)(=O)NC(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H15ClN2O8S/c1-28-16-12-7-8-30-17(12)19(29-2)18-14(16)15(24)13(9-31-18)32(26,27)23-20(25)22-11-5-3-10(21)4-6-11/h3-9H,1-2H3,(H2,22,23,25)
InChIKey
JZAAKSWCNUGBMT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.02377 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.03105 206.5
[M+Na]+ 501.01299 217.5
[M-H]- 477.01649 218.3
[M+NH4]+ 496.05759 216.5
[M+K]+ 516.98693 216.5
[M+H-H2O]+ 461.02103 200.5
[M+HCOO]- 523.02197 220.7
[M+CH3COO]- 537.03762 235.4
[M+Na-2H]- 498.99844 213.3
[M]+ 478.02322 221.6
[M]- 478.02432 221.6
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.