CID 3067672

1-(3,4-dihydro-6-methoxy-2h-1-benzopyran-4-yl)-4-(4-methoxyphenyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C21H26N2O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3CCOC4=C3C=C(C=C4)OC
InChI
InChI=1S/C21H26N2O3/c1-24-17-5-3-16(4-6-17)22-10-12-23(13-11-22)20-9-14-26-21-8-7-18(25-2)15-19(20)21/h3-8,15,20H,9-14H2,1-2H3
InChIKey
MWAIVNBEUQMTQE-UHFFFAOYSA-N
Compound name
1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 187.6
[M+Na]+ 377.18356 202.4
[M+NH4]+ 372.22816 195.7
[M+K]+ 393.15750 194.1
[M-H]- 353.18706 194.9
[M+Na-2H]- 375.16901 194.6
[M]+ 354.19379 191.9
[M]- 354.19489 191.9
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.