CID 3050906

Chromone, 8-(diethylaminomethyl)-2,3-dimethyl-7-methoxy-, hydrochloride

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C)C)OC
InChI
InChI=1S/C17H23NO3/c1-6-18(7-2)10-14-15(20-5)9-8-13-16(19)11(3)12(4)21-17(13)14/h8-9H,6-7,10H2,1-5H3
InChIKey
BRRDVXOVFQXIBY-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-7-methoxy-2,3-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.1678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 168.0
[M+Na]+ 312.157018 177.5
[M-H]- 288.160524 175.3
[M+NH4]+ 307.201623 184.9
[M+K]+ 328.130958 176.5
[M+H-H2O]+ 272.165060 160.7
[M+HCOO]- 334.166001 191.1
[M+CH3COO]- 348.181651 212.6
[M+Na-2H]- 310.142466 172.0
[M]+ 289.16725142 176.2
[M]- 289.16834858 176.2
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.