CID 5292679

15776-59-7

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCN(CC)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C
InChI
InChI=1S/C16H21NO3/c1-4-17(5-2)9-8-14-11(3)13-7-6-12(18)10-15(13)20-16(14)19/h6-7,10,18H,4-5,8-9H2,1-3H3
InChIKey
KKSGOOJPXBUJIA-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-7-hydroxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

279
Patents

275.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 163.5
[M+Na]+ 298.14135 177.0
[M+NH4]+ 293.18595 171.2
[M+K]+ 314.11529 170.4
[M-H]- 274.14485 167.8
[M+Na-2H]- 296.12680 168.5
[M]+ 275.15158 166.7
[M]- 275.15268 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe