CID 3050207

Vufb-10642

Structural Information

Molecular Formula
C23H28N2
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)CN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H28N2/c1-2-8-20(9-3-1)25-14-12-24(13-15-25)17-23-21-10-4-6-18(21)16-19-7-5-11-22(19)23/h1-3,8-9,16H,4-7,10-15,17H2
InChIKey
YSVSDFHUTOOJEL-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.22525 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23253 182.9
[M+Na]+ 355.21447 187.0
[M-H]- 331.21797 190.2
[M+NH4]+ 350.25907 198.7
[M+K]+ 371.18841 179.8
[M+H-H2O]+ 315.22251 172.5
[M+HCOO]- 377.22345 196.7
[M+CH3COO]- 391.23910 191.5
[M+Na-2H]- 353.19992 180.2
[M]+ 332.22470 176.3
[M]- 332.22580 176.3
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.