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]+ 279.185556 167.2
[M+Na]+ 301.167498 172.0
[M-H]- 277.171004 173.7
[M+NH4]+ 296.212103 182.3
[M+K]+ 317.141438 165.9
[M+H-H2O]+ 261.175540 156.6
[M+HCOO]- 323.176481 183.3
[M+CH3COO]- 337.192131 176.9
[M+Na-2H]- 299.152946 169.1
[M]+ 278.17773142 160.7
[M]- 278.17882858 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.