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]+ 347.196546 183.8
[M+Na]+ 369.178488 191.7
[M-H]- 345.181994 189.5
[M+NH4]+ 364.223093 196.3
[M+K]+ 385.152428 189.5
[M+H-H2O]+ 329.186530 175.0
[M+HCOO]- 391.187471 200.4
[M+CH3COO]- 405.203121 214.3
[M+Na-2H]- 367.163936 183.4
[M]+ 346.18872142 189.2
[M]- 346.18981858 189.2
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.