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 183.8
[M+Na]+ 369.17849 191.7
[M-H]- 345.18199 189.5
[M+NH4]+ 364.22309 196.3
[M+K]+ 385.15243 189.5
[M+H-H2O]+ 329.18653 175.0
[M+HCOO]- 391.18747 200.4
[M+CH3COO]- 405.20312 214.3
[M+Na-2H]- 367.16394 183.4
[M]+ 346.18872 189.2
[M]- 346.18982 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.