CID 2245690

2h-1-benzopyran-2-one, 4-methyl-7-(3-(4-morpholinyl)propoxy)-

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCCCN3CCOCC3
InChI
InChI=1S/C17H21NO4/c1-13-11-17(19)22-16-12-14(3-4-15(13)16)21-8-2-5-18-6-9-20-10-7-18/h3-4,11-12H,2,5-10H2,1H3
InChIKey
ARUYZENRHRGBDP-UHFFFAOYSA-N
Compound name
4-methyl-7-(3-morpholin-4-ylpropoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 170.3
[M+Na]+ 326.13628 176.9
[M-H]- 302.13978 177.1
[M+NH4]+ 321.18088 182.0
[M+K]+ 342.11022 175.7
[M+H-H2O]+ 286.14432 160.9
[M+HCOO]- 348.14526 186.8
[M+CH3COO]- 362.16091 203.8
[M+Na-2H]- 324.12173 175.9
[M]+ 303.14651 172.6
[M]- 303.14761 172.6
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.