CID 218483

40713-19-7

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CC1=C(OC2=C1C=CC(=C2OC)OC)C(=O)N3CCN(CC3)C
InChI
InChI=1S/C17H22N2O4/c1-11-12-5-6-13(21-3)16(22-4)15(12)23-14(11)17(20)19-9-7-18(2)8-10-19/h5-6H,7-10H2,1-4H3
InChIKey
WKQFIXHJTAIJMG-UHFFFAOYSA-N
Compound name
(6,7-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 174.5
[M+Na]+ 341.14718 183.3
[M-H]- 317.15068 180.6
[M+NH4]+ 336.19178 188.2
[M+K]+ 357.12112 181.5
[M+H-H2O]+ 301.15522 166.1
[M+HCOO]- 363.15616 191.8
[M+CH3COO]- 377.17181 208.4
[M+Na-2H]- 339.13263 175.2
[M]+ 318.15741 179.2
[M]- 318.15851 179.2
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.