CID 49445

Chromone, 8-((diethylamino)methyl)-2-ethyl-7-methoxy-3-methyl-, hydrochloride

Structural Information

Molecular Formula
C18H25NO3
SMILES
CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC)CN(CC)CC)C
InChI
InChI=1S/C18H25NO3/c1-6-15-12(4)17(20)13-9-10-16(21-5)14(18(13)22-15)11-19(7-2)8-3/h9-10H,6-8,11H2,1-5H3
InChIKey
WCBYBJWERWMKOV-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-2-ethyl-7-methoxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 172.9
[M+Na]+ 326.17266 181.9
[M-H]- 302.17616 179.9
[M+NH4]+ 321.21726 189.1
[M+K]+ 342.14660 180.6
[M+H-H2O]+ 286.18070 165.3
[M+HCOO]- 348.18164 195.5
[M+CH3COO]- 362.19729 215.6
[M+Na-2H]- 324.15811 176.3
[M]+ 303.18289 181.4
[M]- 303.18399 181.4
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.