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]+ 343.165236 183.4
[M+Na]+ 365.147178 193.0
[M-H]- 341.150684 192.5
[M+NH4]+ 360.191783 198.8
[M+K]+ 381.121118 192.3
[M+H-H2O]+ 325.155220 176.3
[M+HCOO]- 387.156161 206.8
[M+CH3COO]- 401.171811 223.0
[M+Na-2H]- 363.132626 187.5
[M]+ 342.15741142 193.0
[M]- 342.15850858 193.0
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.