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]+ 339.10091 177.1
[M+Na]+ 361.08285 187.7
[M+NH4]+ 356.12745 182.3
[M+K]+ 377.05679 181.9
[M-H]- 337.08635 179.1
[M+Na-2H]- 359.06830 179.8
[M]+ 338.09308 179.4
[M]- 338.09418 179.4
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.