CID 3062502

98236-29-4

Structural Information

Molecular Formula
C19H22N2
SMILES
C1CC2=CC=CC=C2C1N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C19H22N2/c1-2-7-17(8-3-1)20-12-14-21(15-13-20)19-11-10-16-6-4-5-9-18(16)19/h1-9,19H,10-15H2
InChIKey
GXDGSIXUYMZGQK-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 167.2
[M+Na]+ 301.16750 172.0
[M-H]- 277.17100 173.7
[M+NH4]+ 296.21210 182.3
[M+K]+ 317.14144 165.9
[M+H-H2O]+ 261.17554 156.6
[M+HCOO]- 323.17648 183.3
[M+CH3COO]- 337.19213 176.9
[M+Na-2H]- 299.15295 169.1
[M]+ 278.17773 160.7
[M]- 278.17883 160.7
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.