CID 62249

68427-35-0

Structural Information

Molecular Formula
C20H19N3O5S
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N
InChI
InChI=1S/C20H19N3O5S/c1-3-23(4-2)13-6-5-12-9-15(20(24)28-18(12)10-13)19-22-16-11-14(29(21,25)26)7-8-17(16)27-19/h5-11H,3-4H2,1-2H3,(H2,21,25,26)
InChIKey
SDUIURJVOCHJCO-UHFFFAOYSA-N
Compound name
2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

249
Patents

413.10455 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11183 195.1
[M+Na]+ 436.09377 208.9
[M+NH4]+ 431.13837 201.2
[M+K]+ 452.06771 203.6
[M-H]- 412.09727 201.6
[M+Na-2H]- 434.07922 200.4
[M]+ 413.10400 199.4
[M]- 413.10510 199.4
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

patents stripe