CID 3062498

98236-25-0

Structural Information

Molecular Formula
C20H24N2
SMILES
C1CC2=CC=CC=C2C1CN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H24N2/c1-2-7-19(8-3-1)22-14-12-21(13-15-22)16-18-11-10-17-6-4-5-9-20(17)18/h1-9,18H,10-16H2
InChIKey
KSOUQNUDLOWLRP-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

292.19394 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 171.7
[M+Na]+ 315.18316 176.0
[M-H]- 291.18666 177.9
[M+NH4]+ 310.22776 186.2
[M+K]+ 331.15710 169.7
[M+H-H2O]+ 275.19120 160.8
[M+HCOO]- 337.19214 187.4
[M+CH3COO]- 351.20779 180.9
[M+Na-2H]- 313.16861 173.0
[M]+ 292.19339 165.5
[M]- 292.19449 165.5
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

patents stripe