CID 360217

Nsc622214

Structural Information

Molecular Formula
C19H19NO4S
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO4S/c1-3-20(4-2)15-11-10-14-12-18(19(21)24-17(14)13-15)25(22,23)16-8-6-5-7-9-16/h5-13H,3-4H2,1-2H3
InChIKey
HNRYXYFZJWAWAJ-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-7-(diethylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

357.1035 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11078 181.5
[M+Na]+ 380.09272 190.1
[M-H]- 356.09622 191.4
[M+NH4]+ 375.13732 194.7
[M+K]+ 396.06666 187.3
[M+H-H2O]+ 340.10076 173.1
[M+HCOO]- 402.10170 199.3
[M+CH3COO]- 416.11735 216.8
[M+Na-2H]- 378.07817 187.1
[M]+ 357.10295 188.5
[M]- 357.10405 188.5
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.