CID 3068815

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

Structural Information

Molecular Formula
C20H24N2O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3CC4=CC=CC=C4OC3
InChI
InChI=1S/C20H24N2O2/c1-23-19-8-6-17(7-9-19)21-10-12-22(13-11-21)18-14-16-4-2-3-5-20(16)24-15-18/h2-9,18H,10-15H2,1H3
InChIKey
VMPHADROCGUHCO-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-3-yl)-4-(4-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 179.2
[M+Na]+ 347.172998 183.4
[M-H]- 323.176504 185.9
[M+NH4]+ 342.217603 189.1
[M+K]+ 363.146938 179.4
[M+H-H2O]+ 307.181040 167.3
[M+HCOO]- 369.181981 191.9
[M+CH3COO]- 383.197631 187.7
[M+Na-2H]- 345.158446 182.4
[M]+ 324.18323142 174.4
[M]- 324.18432858 174.4
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.