CID 1532365

54536-28-6

Structural Information

Molecular Formula
C16H19NO4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCCN3CCOCC3
InChI
InChI=1S/C16H19NO4/c1-12-10-16(18)21-15-11-13(2-3-14(12)15)20-9-6-17-4-7-19-8-5-17/h2-3,10-11H,4-9H2,1H3
InChIKey
RIGUBTNNRHHQTI-UHFFFAOYSA-N
Compound name
4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.1314 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.138676 165.6
[M+Na]+ 312.120618 172.7
[M-H]- 288.124124 172.6
[M+NH4]+ 307.165223 177.9
[M+K]+ 328.094558 171.7
[M+H-H2O]+ 272.128660 156.4
[M+HCOO]- 334.129601 182.4
[M+CH3COO]- 348.145251 200.8
[M+Na-2H]- 310.106066 171.8
[M]+ 289.13085142 167.6
[M]- 289.13194858 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.