CID 3067667

Brn 4525457

Structural Information

Molecular Formula
C20H24N2O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3CCOC4=CC=CC=C34
InChI
InChI=1S/C20H24N2O2/c1-23-17-8-6-16(7-9-17)21-11-13-22(14-12-21)19-10-15-24-20-5-3-2-4-18(19)20/h2-9,19H,10-15H2,1H3
InChIKey
AUFBJUWSDUDEGP-UHFFFAOYSA-N
Compound name
1-(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

324.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 180.0
[M+Na]+ 347.17300 195.2
[M+NH4]+ 342.21760 188.9
[M+K]+ 363.14694 186.4
[M-H]- 323.17650 187.8
[M+Na-2H]- 345.15845 188.0
[M]+ 324.18323 184.6
[M]- 324.18433 184.6
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.