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 183.4
[M+Na]+ 365.14718 193.0
[M-H]- 341.15068 192.5
[M+NH4]+ 360.19178 198.8
[M+K]+ 381.12112 192.3
[M+H-H2O]+ 325.15522 176.3
[M+HCOO]- 387.15616 206.8
[M+CH3COO]- 401.17181 223.0
[M+Na-2H]- 363.13263 187.5
[M]+ 342.15741 193.0
[M]- 342.15851 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.