CID 5361765

2-ethyl-7-hydroxy-3-methyl-8-morpholinomethylchromone hydrochloride

Structural Information

Molecular Formula
C17H21NO4
SMILES
CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)C
InChI
InChI=1S/C17H21NO4/c1-3-15-11(2)16(20)12-4-5-14(19)13(17(12)22-15)10-18-6-8-21-9-7-18/h4-5,19H,3,6-10H2,1-2H3
InChIKey
HVLIJTJIEADABJ-UHFFFAOYSA-N
Compound name
2-ethyl-7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 171.7
[M+Na]+ 326.13628 179.8
[M-H]- 302.13978 178.0
[M+NH4]+ 321.18088 183.4
[M+K]+ 342.11022 177.8
[M+H-H2O]+ 286.14432 163.1
[M+HCOO]- 348.14526 186.6
[M+CH3COO]- 362.16091 204.0
[M+Na-2H]- 324.12173 175.5
[M]+ 303.14651 173.2
[M]- 303.14761 173.2
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.