CID 217210

Brn 1156875

Structural Information

Molecular Formula
C16H19NO5
SMILES
CC1=C(OC2=C1C=CC(=C2OC)OC)C(=O)N3CCOCC3
InChI
InChI=1S/C16H19NO5/c1-10-11-4-5-12(19-2)15(20-3)14(11)22-13(10)16(18)17-6-8-21-9-7-17/h4-5H,6-9H2,1-3H3
InChIKey
PXYSDILWXXFDBF-UHFFFAOYSA-N
Compound name
(6,7-dimethoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1263 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13358 168.4
[M+Na]+ 328.11552 176.9
[M-H]- 304.11902 176.4
[M+NH4]+ 323.16012 182.4
[M+K]+ 344.08946 177.0
[M+H-H2O]+ 288.12356 161.0
[M+HCOO]- 350.12450 186.7
[M+CH3COO]- 364.14015 203.9
[M+Na-2H]- 326.10097 171.3
[M]+ 305.12575 173.9
[M]- 305.12685 173.9
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.