CID 5362175

8-((diethylamino)methyl)-6,7-dihydroxycoumarin hydrochloride

Structural Information

Molecular Formula
C14H17NO4
SMILES
CCN(CC)CC1=C2C(=CC(=C1O)O)C=CC(=O)O2
InChI
InChI=1S/C14H17NO4/c1-3-15(4-2)8-10-13(18)11(16)7-9-5-6-12(17)19-14(9)10/h5-7,16,18H,3-4,8H2,1-2H3
InChIKey
HUWHLPJRADFLBO-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-6,7-dihydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 158.0
[M+Na]+ 286.10497 170.8
[M+NH4]+ 281.14957 165.1
[M+K]+ 302.07891 165.6
[M-H]- 262.10847 161.3
[M+Na-2H]- 284.09042 162.4
[M]+ 263.11520 160.7
[M]- 263.11630 160.7
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.