CID 3040524

52415-49-3

Structural Information

Molecular Formula
C16H19NO5S
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)C)S(=O)(=O)N3CCOCC3)C
InChI
InChI=1S/C16H19NO5S/c1-10-8-12(3)16(15-14(10)11(2)9-13(18)22-15)23(19,20)17-4-6-21-7-5-17/h8-9H,4-7H2,1-3H3
InChIKey
KXUWEOSKBPDHJR-UHFFFAOYSA-N
Compound name
4,5,7-trimethyl-8-morpholin-4-ylsulfonylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0984 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10568 174.6
[M+Na]+ 360.08762 188.4
[M+NH4]+ 355.13222 181.3
[M+K]+ 376.06156 181.6
[M-H]- 336.09112 179.6
[M+Na-2H]- 358.07307 178.8
[M]+ 337.09785 178.5
[M]- 337.09895 178.5
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.