CID 3050211

Vufb-10646

Structural Information

Molecular Formula
C34H42N4
SMILES
C1CC2=C(C1)C(=C3CCCC3=C2CN4CCN(CC4)C5=CC=CC=C5)CN6CCN(CC6)C7=CC=CC=C7
InChI
InChI=1S/C34H42N4/c1-3-9-27(10-4-1)37-21-17-35(18-22-37)25-33-29-13-7-15-31(29)34(32-16-8-14-30(32)33)26-36-19-23-38(24-20-36)28-11-5-2-6-12-28/h1-6,9-12H,7-8,13-26H2
InChIKey
FRNSSZPPYOMVJJ-UHFFFAOYSA-N
Compound name
1-phenyl-4-[[8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.34094 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.34822 227.0
[M+Na]+ 529.33016 226.7
[M-H]- 505.33366 235.6
[M+NH4]+ 524.37476 231.2
[M+K]+ 545.30410 216.6
[M+H-H2O]+ 489.33820 210.8
[M+HCOO]- 551.33914 231.8
[M+CH3COO]- 565.35479 229.5
[M+Na-2H]- 527.31561 217.2
[M]+ 506.34039 215.7
[M]- 506.34149 215.7
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.