CID 3069821

2h-1-benzopyran-8-sulfonamide, n-((ethylamino)carbonyl)-4,5,7-trimethyl-2-oxo-

Structural Information

Molecular Formula
C15H18N2O5S
SMILES
CCNC(=O)NS(=O)(=O)C1=C(C=C(C2=C1OC(=O)C=C2C)C)C
InChI
InChI=1S/C15H18N2O5S/c1-5-16-15(19)17-23(20,21)14-10(4)6-8(2)12-9(3)7-11(18)22-13(12)14/h6-7H,5H2,1-4H3,(H2,16,17,19)
InChIKey
DERAIVLVEPISAY-UHFFFAOYSA-N
Compound name
1-ethyl-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09363 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.100906 174.6
[M+Na]+ 361.082848 183.8
[M-H]- 337.086354 180.6
[M+NH4]+ 356.127453 188.5
[M+K]+ 377.056788 181.4
[M+H-H2O]+ 321.090890 167.8
[M+HCOO]- 383.091831 191.8
[M+CH3COO]- 397.107481 214.6
[M+Na-2H]- 359.068296 178.9
[M]+ 338.09308142 181.6
[M]- 338.09417858 181.6
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.