CID 3058817

4,5'-dimethyl-4'-diethylaminoacetamidoangelicin hydrochloride

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CCN(CC)CC(=O)NC1=C(OC2=C1C3=C(C=C2)C(=CC(=O)O3)C)C
InChI
InChI=1S/C19H22N2O4/c1-5-21(6-2)10-15(22)20-18-12(4)24-14-8-7-13-11(3)9-16(23)25-19(13)17(14)18/h7-9H,5-6,10H2,1-4H3,(H,20,22)
InChIKey
KVGPUAOHUBAUGJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 181.1
[M+Na]+ 365.14718 193.8
[M+NH4]+ 360.19178 187.9
[M+K]+ 381.12112 189.9
[M-H]- 341.15068 186.8
[M+Na-2H]- 363.13263 184.0
[M]+ 342.15741 184.5
[M]- 342.15851 184.5
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.