CID 3053552

1-((3,4-dihydro-6,7-dimethoxy-1h-2-benzopyran-1-yl)methyl)-4-(4-methoxyphenyl)piperazine 2hcl

Structural Information

Molecular Formula
C23H30N2O4
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CC3C4=CC(=C(C=C4CCO3)OC)OC
InChI
InChI=1S/C23H30N2O4/c1-26-19-6-4-18(5-7-19)25-11-9-24(10-12-25)16-23-20-15-22(28-3)21(27-2)14-17(20)8-13-29-23/h4-7,14-15,23H,8-13,16H2,1-3H3
InChIKey
OCDVSBZDSOTGGH-UHFFFAOYSA-N
Compound name
1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-(4-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 199.5
[M+Na]+ 421.20977 213.8
[M+NH4]+ 416.25437 206.7
[M+K]+ 437.18371 205.7
[M-H]- 397.21327 206.4
[M+Na-2H]- 419.19522 205.4
[M]+ 398.22000 203.6
[M]- 398.22110 203.6
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.