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 174.6
[M+Na]+ 361.08285 183.8
[M-H]- 337.08635 180.6
[M+NH4]+ 356.12745 188.5
[M+K]+ 377.05679 181.4
[M+H-H2O]+ 321.09089 167.8
[M+HCOO]- 383.09183 191.8
[M+CH3COO]- 397.10748 214.6
[M+Na-2H]- 359.06830 178.9
[M]+ 338.09308 181.6
[M]- 338.09418 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.