CID 3069819

85302-25-6

Structural Information

Molecular Formula
C20H20N2O5S
SMILES
CC1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=C(C=C(C3=C2OC(=O)C=C3C)C)C
InChI
InChI=1S/C20H20N2O5S/c1-11-5-7-15(8-6-11)21-20(24)22-28(25,26)19-14(4)9-12(2)17-13(3)10-16(23)27-18(17)19/h5-10H,1-4H3,(H2,21,22,24)
InChIKey
XOIMIULULVCTCQ-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.10928 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11656 193.1
[M+Na]+ 423.09850 206.0
[M+NH4]+ 418.14310 198.7
[M+K]+ 439.07244 198.8
[M-H]- 399.10200 198.1
[M+Na-2H]- 421.08395 198.7
[M]+ 400.10873 196.8
[M]- 400.10983 196.8
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.