CID 218488

40713-23-3

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CCOC1=C(C2=C(C=C1)C(=C(O2)C(=O)N3CCN(CC3)C)C)OCC
InChI
InChI=1S/C19H26N2O4/c1-5-23-15-8-7-14-13(3)16(25-17(14)18(15)24-6-2)19(22)21-11-9-20(4)10-12-21/h7-8H,5-6,9-12H2,1-4H3
InChIKey
ZKOWXKBOMBQGCD-UHFFFAOYSA-N
Compound name
(6,7-diethoxy-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19655 183.1
[M+Na]+ 369.17849 195.7
[M+NH4]+ 364.22309 189.3
[M+K]+ 385.15243 191.7
[M-H]- 345.18199 186.4
[M+Na-2H]- 367.16394 186.3
[M]+ 346.18872 185.7
[M]- 346.18982 185.7
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.