CID 3058822

4,5'-dimethyl-4'-morpholinoacetamidoangelicin hydrochloride

Structural Information

Molecular Formula
C19H20N2O5
SMILES
CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C)NC(=O)CN4CCOCC4
InChI
InChI=1S/C19H20N2O5/c1-11-9-16(23)26-19-13(11)3-4-14-17(19)18(12(2)25-14)20-15(22)10-21-5-7-24-8-6-21/h3-4,9H,5-8,10H2,1-2H3,(H,20,22)
InChIKey
BDKYDYJPVBSEKQ-UHFFFAOYSA-N
Compound name
N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14448 183.5
[M+Na]+ 379.12642 192.4
[M-H]- 355.12992 193.2
[M+NH4]+ 374.17102 194.6
[M+K]+ 395.10036 191.6
[M+H-H2O]+ 339.13446 175.4
[M+HCOO]- 401.13540 200.4
[M+CH3COO]- 415.15105 194.7
[M+Na-2H]- 377.11187 187.5
[M]+ 356.13665 188.4
[M]- 356.13775 188.4
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.