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 187.4
[M+Na]+ 369.23012 190.9
[M-H]- 345.23362 194.4
[M+NH4]+ 364.27472 202.5
[M+K]+ 385.20406 183.6
[M+H-H2O]+ 329.23816 176.7
[M+HCOO]- 391.23910 200.8
[M+CH3COO]- 405.25475 195.4
[M+Na-2H]- 367.21557 184.1
[M]+ 346.24035 181.0
[M]- 346.24145 181.0
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.