CID 5362191

8-((diethylamino)methyl)-6,7-dihydroxy-4-methylcoumarin hydrochloride

Structural Information

Molecular Formula
C15H19NO4
SMILES
CCN(CC)CC1=C2C(=CC(=C1O)O)C(=CC(=O)O2)C
InChI
InChI=1S/C15H19NO4/c1-4-16(5-2)8-11-14(19)12(17)7-10-9(3)6-13(18)20-15(10)11/h6-7,17,19H,4-5,8H2,1-3H3
InChIKey
PDDKAQNVZXONBH-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-6,7-dihydroxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 162.6
[M+Na]+ 300.12062 171.9
[M-H]- 276.12412 167.4
[M+NH4]+ 295.16522 178.4
[M+K]+ 316.09456 170.3
[M+H-H2O]+ 260.12866 156.0
[M+HCOO]- 322.12960 183.5
[M+CH3COO]- 336.14525 204.0
[M+Na-2H]- 298.10607 166.8
[M]+ 277.13085 167.9
[M]- 277.13195 167.9
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.