CID 56842977

35773-44-5

Structural Information

Molecular Formula
C22H23N3O5S
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N(C)C
InChI
InChI=1S/C22H23N3O5S/c1-5-25(6-2)15-8-7-14-11-17(22(26)30-20(14)12-15)21-23-18-13-16(9-10-19(18)29-21)31(27,28)24(3)4/h7-13H,5-6H2,1-4H3
InChIKey
SMIPQTXGLHGSSB-UHFFFAOYSA-N
Compound name
2-[7-(diethylamino)-2-oxochromen-3-yl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

441.13583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.14311 206.3
[M+Na]+ 464.12505 216.4
[M-H]- 440.12855 218.7
[M+NH4]+ 459.16965 216.9
[M+K]+ 480.09899 215.9
[M+H-H2O]+ 424.13309 198.0
[M+HCOO]- 486.13403 224.3
[M+CH3COO]- 500.14968 239.0
[M+Na-2H]- 462.11050 211.2
[M]+ 441.13528 219.1
[M]- 441.13638 219.1
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.