CID 3069820

85302-26-7

Structural Information

Molecular Formula
C19H18N2O5S
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)C)S(=O)(=O)NC(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C19H18N2O5S/c1-11-9-13(3)18(17-16(11)12(2)10-15(22)26-17)27(24,25)21-19(23)20-14-7-5-4-6-8-14/h4-10H,1-3H3,(H2,20,21,23)
InChIKey
FPENSZWANGTHHM-UHFFFAOYSA-N
Compound name
1-phenyl-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.09363 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.100906 188.3
[M+Na]+ 409.082848 197.2
[M-H]- 385.086354 197.3
[M+NH4]+ 404.127453 199.6
[M+K]+ 425.056788 193.9
[M+H-H2O]+ 369.090890 180.0
[M+HCOO]- 431.091831 205.7
[M+CH3COO]- 445.107481 222.7
[M+Na-2H]- 407.068296 193.3
[M]+ 386.09308142 194.2
[M]- 386.09417858 194.2
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.