CID 3049439

Vufb-10639

Structural Information

Molecular Formula
C24H30N2
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)N4CCN(CC4)CCC5=CC=CC=C5
InChI
InChI=1S/C24H30N2/c1-2-6-19(7-3-1)12-13-25-14-16-26(17-15-25)24-22-10-4-8-20(22)18-21-9-5-11-23(21)24/h1-3,6-7,18H,4-5,8-17H2
InChIKey
BERMKHNFBDQWLR-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-4-(2-phenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2409 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24818 188.8
[M+Na]+ 369.23012 201.7
[M+NH4]+ 364.27472 199.0
[M+K]+ 385.20406 195.0
[M-H]- 345.23362 195.4
[M+Na-2H]- 367.21557 194.7
[M]+ 346.24035 192.6
[M]- 346.24145 192.6
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.