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]+ 324.126416 171.3
[M+Na]+ 346.108358 181.4
[M-H]- 322.111864 178.8
[M+NH4]+ 341.152963 187.1
[M+K]+ 362.082298 179.7
[M+H-H2O]+ 306.116400 164.7
[M+HCOO]- 368.117341 188.4
[M+CH3COO]- 382.132991 214.4
[M+Na-2H]- 344.093806 174.7
[M]+ 323.11859142 180.8
[M]- 323.11968858 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.