CID 5361741

Chromone, 8-(diethylaminomethyl)-2,3-diethyl-7-hydroxy-, hydrochloride

Structural Information

Molecular Formula
C18H25NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CN(CC)CC)O)CC
InChI
InChI=1S/C18H25NO3/c1-5-12-16(6-2)22-18-13(17(12)21)9-10-15(20)14(18)11-19(7-3)8-4/h9-10,20H,5-8,11H2,1-4H3
InChIKey
KYOABDCVSFORIY-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-2,3-diethyl-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 173.4
[M+Na]+ 326.17266 182.0
[M-H]- 302.17616 179.1
[M+NH4]+ 321.21726 189.0
[M+K]+ 342.14660 179.9
[M+H-H2O]+ 286.18070 166.2
[M+HCOO]- 348.18164 194.6
[M+CH3COO]- 362.19729 213.1
[M+Na-2H]- 324.15811 176.4
[M]+ 303.18289 180.1
[M]- 303.18399 180.1
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.