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]+ 357.144476 183.5
[M+Na]+ 379.126418 192.4
[M-H]- 355.129924 193.2
[M+NH4]+ 374.171023 194.6
[M+K]+ 395.100358 191.6
[M+H-H2O]+ 339.134460 175.4
[M+HCOO]- 401.135401 200.4
[M+CH3COO]- 415.151051 194.7
[M+Na-2H]- 377.111866 187.5
[M]+ 356.13665142 188.4
[M]- 356.13774858 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.