CID 659250

Brn 5753140

Structural Information

Molecular Formula
C16H21NO4
SMILES
CCN(CC)CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C
InChI
InChI=1S/C16H21NO4/c1-4-17(5-2)8-9-20-16(19)15-11(3)21-14-7-6-12(18)10-13(14)15/h6-7,10,18H,4-5,8-9H2,1-3H3
InChIKey
HRLWPIDNRTVOHP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 168.5
[M+Na]+ 314.13628 176.5
[M-H]- 290.13978 174.2
[M+NH4]+ 309.18088 185.8
[M+K]+ 330.11022 175.7
[M+H-H2O]+ 274.14432 162.0
[M+HCOO]- 336.14526 191.8
[M+CH3COO]- 350.16091 206.4
[M+Na-2H]- 312.12173 171.4
[M]+ 291.14651 176.6
[M]- 291.14761 176.6
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.