CID 3053553

70070-20-1

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]+ 307.201616 175.5
[M+Na]+ 329.183558 180.6
[M-H]- 305.187064 179.6
[M+NH4]+ 324.228163 187.2
[M+K]+ 345.157498 178.6
[M+H-H2O]+ 289.191600 165.4
[M+HCOO]- 351.192541 188.2
[M+CH3COO]- 365.208191 206.7
[M+Na-2H]- 327.169006 177.6
[M]+ 306.19379142 174.5
[M]- 306.19488858 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.