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]+ 319.165236 174.5
[M+Na]+ 341.147178 183.3
[M-H]- 317.150684 180.6
[M+NH4]+ 336.191783 188.2
[M+K]+ 357.121118 181.5
[M+H-H2O]+ 301.155220 166.1
[M+HCOO]- 363.156161 191.8
[M+CH3COO]- 377.171811 208.4
[M+Na-2H]- 339.132626 175.2
[M]+ 318.15741142 179.2
[M]- 318.15850858 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.