CID 3087485

Brn 5762245

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCN(CC)CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)C
InChI
InChI=1S/C19H28N2O4/c1-6-21(7-2)10-11-24-19(23)17-13(3)25-16-9-8-15(22)14(18(16)17)12-20(4)5/h8-9,22H,6-7,10-12H2,1-5H3
InChIKey
KIEQOLJZONVXKM-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2049 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 187.3
[M+Na]+ 371.19412 194.0
[M-H]- 347.19762 194.2
[M+NH4]+ 366.23872 202.7
[M+K]+ 387.16806 194.1
[M+H-H2O]+ 331.20216 179.9
[M+HCOO]- 393.20310 211.0
[M+CH3COO]- 407.21875 225.1
[M+Na-2H]- 369.17957 187.6
[M]+ 348.20435 197.3
[M]- 348.20545 197.3
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.