CID 44510

Coumarin, 6-(3-diethylamino-2-hydroxypropoxy)-7,8-dimethoxy-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H27NO6
SMILES
CCN(CC)CC(COC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)OC)OC)O
InChI
InChI=1S/C19H27NO6/c1-6-20(7-2)10-13(21)11-25-15-9-14-12(3)8-16(22)26-17(14)19(24-5)18(15)23-4/h8-9,13,21H,6-7,10-11H2,1-5H3
InChIKey
CWOOODLUFKLJCK-UHFFFAOYSA-N
Compound name
6-[3-(diethylamino)-2-hydroxypropoxy]-7,8-dimethoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.18384 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19112 186.4
[M+Na]+ 388.17306 193.6
[M-H]- 364.17656 191.8
[M+NH4]+ 383.21766 198.9
[M+K]+ 404.14700 194.0
[M+H-H2O]+ 348.18110 178.3
[M+HCOO]- 410.18204 206.7
[M+CH3COO]- 424.19769 223.6
[M+Na-2H]- 386.15851 188.1
[M]+ 365.18329 197.2
[M]- 365.18439 197.2
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.