CID 3068813

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

Structural Information

Molecular Formula
C19H22N2O
SMILES
C1CN(CCN1C2CC3=CC=CC=C3OC2)C4=CC=CC=C4
InChI
InChI=1S/C19H22N2O/c1-2-7-17(8-3-1)20-10-12-21(13-11-20)18-14-16-6-4-5-9-19(16)22-15-18/h1-9,18H,10-15H2
InChIKey
GVDKPJIEHKCNNK-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-3-yl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 172.5
[M+Na]+ 317.16244 188.1
[M+NH4]+ 312.20704 182.2
[M+K]+ 333.13638 178.7
[M-H]- 293.16594 180.8
[M+Na-2H]- 315.14789 181.5
[M]+ 294.17267 177.2
[M]- 294.17377 177.2
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.