CID 49493

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

Structural Information

Molecular Formula
C16H19NO4
SMILES
CCC1=CC(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3
InChI
InChI=1S/C16H19NO4/c1-2-11-9-15(19)12-3-4-14(18)13(16(12)21-11)10-17-5-7-20-8-6-17/h3-4,9,18H,2,5-8,10H2,1H3
InChIKey
INOYVGNETLUGJH-UHFFFAOYSA-N
Compound name
2-ethyl-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.138676 166.5
[M+Na]+ 312.120618 174.1
[M-H]- 288.124124 172.6
[M+NH4]+ 307.165223 178.5
[M+K]+ 328.094558 172.4
[M+H-H2O]+ 272.128660 157.9
[M+HCOO]- 334.129601 181.9
[M+CH3COO]- 348.145251 199.7
[M+Na-2H]- 310.106066 171.6
[M]+ 289.13085142 167.3
[M]- 289.13194858 167.3
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.