CID 218479

40713-12-0

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CC1=C(OC2=CC(=C(C=C12)OC)OC)C(=O)N3CCN(CC3)C
InChI
InChI=1S/C17H22N2O4/c1-11-12-9-14(21-3)15(22-4)10-13(12)23-16(11)17(20)19-7-5-18(2)6-8-19/h9-10H,5-8H2,1-4H3
InChIKey
NZFNCQGRZYBTHC-UHFFFAOYSA-N
Compound name
(5,6-dimethoxy-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

318.15796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16524 174.1
[M+Na]+ 341.14718 187.1
[M+NH4]+ 336.19178 180.6
[M+K]+ 357.12112 183.6
[M-H]- 317.15068 177.5
[M+Na-2H]- 339.13263 177.8
[M]+ 318.15741 176.8
[M]- 318.15851 176.8
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.