CID 19669

3818-64-2

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCOCC3)OC)C
InChI
InChI=1S/C17H21NO4/c1-11-12(2)22-17-13(16(11)19)4-5-15(20-3)14(17)10-18-6-8-21-9-7-18/h4-5H,6-10H2,1-3H3
InChIKey
GJTMNUHTYIJXTJ-UHFFFAOYSA-N
Compound name
7-methoxy-2,3-dimethyl-8-(morpholin-4-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

303.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.154336 171.1
[M+Na]+ 326.136278 179.6
[M-H]- 302.139784 178.7
[M+NH4]+ 321.180883 183.5
[M+K]+ 342.110218 178.5
[M+H-H2O]+ 286.144320 162.2
[M+HCOO]- 348.145261 187.5
[M+CH3COO]- 362.160911 206.4
[M+Na-2H]- 324.121726 175.4
[M]+ 303.14651142 174.3
[M]- 303.14760858 174.3
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.