CID 3067666

Brn 4543137

Structural Information

Molecular Formula
C20H24N2O2
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)C3CCOC4=CC=CC=C34
InChI
InChI=1S/C20H24N2O2/c1-23-17-6-4-5-16(15-17)21-10-12-22(13-11-21)19-9-14-24-20-8-3-2-7-18(19)20/h2-8,15,19H,9-14H2,1H3
InChIKey
NAJHFOHSRDSHDF-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-4-yl)-4-(3-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 179.2
[M+Na]+ 347.17300 183.4
[M-H]- 323.17650 185.9
[M+NH4]+ 342.21760 189.1
[M+K]+ 363.14694 179.4
[M+H-H2O]+ 307.18104 167.3
[M+HCOO]- 369.18198 191.9
[M+CH3COO]- 383.19763 187.7
[M+Na-2H]- 345.15845 182.4
[M]+ 324.18323 174.4
[M]- 324.18433 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.