CID 3067670

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

Structural Information

Molecular Formula
C21H26N2O3
SMILES
COC1=CC2=C(C=C1)OCCC2N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C21H26N2O3/c1-24-16-7-8-20-17(15-16)18(9-14-26-20)22-10-12-23(13-11-22)19-5-3-4-6-21(19)25-2/h3-8,15,18H,9-14H2,1-2H3
InChIKey
LVKPNSZJKNWOKP-UHFFFAOYSA-N
Compound name
1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(2-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 187.4
[M+Na]+ 377.18356 191.8
[M-H]- 353.18706 194.3
[M+NH4]+ 372.22816 196.3
[M+K]+ 393.15750 188.3
[M+H-H2O]+ 337.19160 175.3
[M+HCOO]- 399.19254 199.8
[M+CH3COO]- 413.20819 195.6
[M+Na-2H]- 375.16901 189.4
[M]+ 354.19379 184.7
[M]- 354.19489 184.7
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.