CID 3053553

Brn 0815000

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CN1CCN(CC1)CC2C3=CC(=C(C=C3CCO2)OC)OC
InChI
InChI=1S/C17H26N2O3/c1-18-5-7-19(8-6-18)12-17-14-11-16(21-3)15(20-2)10-13(14)4-9-22-17/h10-11,17H,4-9,12H2,1-3H3
InChIKey
ISDFNBCLXCQCHZ-UHFFFAOYSA-N
Compound name
1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 175.5
[M+Na]+ 329.18356 180.6
[M-H]- 305.18706 179.6
[M+NH4]+ 324.22816 187.2
[M+K]+ 345.15750 178.6
[M+H-H2O]+ 289.19160 165.4
[M+HCOO]- 351.19254 188.2
[M+CH3COO]- 365.20819 206.7
[M+Na-2H]- 327.16901 177.6
[M]+ 306.19379 174.5
[M]- 306.19489 174.5
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.