CID 3040523

52415-48-2

Structural Information

Molecular Formula
C16H21NO4S
SMILES
CCN(CC)S(=O)(=O)C1=C(C=C(C2=C1OC(=O)C=C2C)C)C
InChI
InChI=1S/C16H21NO4S/c1-6-17(7-2)22(19,20)16-12(5)8-10(3)14-11(4)9-13(18)21-15(14)16/h8-9H,6-7H2,1-5H3
InChIKey
VQDCCPHIGOSPSC-UHFFFAOYSA-N
Compound name
N,N-diethyl-4,5,7-trimethyl-2-oxochromene-8-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12642 171.3
[M+Na]+ 346.10836 181.4
[M-H]- 322.11186 178.8
[M+NH4]+ 341.15296 187.1
[M+K]+ 362.08230 179.7
[M+H-H2O]+ 306.11640 164.7
[M+HCOO]- 368.11734 188.4
[M+CH3COO]- 382.13299 214.4
[M+Na-2H]- 344.09381 174.7
[M]+ 323.11859 180.8
[M]- 323.11969 180.8
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.