CID 1032680

Vufb-10637

Structural Information

Molecular Formula
C26H42N4O2
SMILES
C1CC2=C(C1)C(=C3CCCC3=C2CN4CCN(CC4)CCO)CN5CCN(CC5)CCO
InChI
InChI=1S/C26H42N4O2/c31-17-15-27-7-11-29(12-8-27)19-25-21-3-1-4-22(21)26(24-6-2-5-23(24)25)20-30-13-9-28(10-14-30)16-18-32/h31-32H,1-20H2
InChIKey
DSYMGIDXYHRMAF-UHFFFAOYSA-N
Compound name
2-[4-[[8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.33078 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.33806 213.7
[M+Na]+ 465.32000 213.6
[M-H]- 441.32350 214.6
[M+NH4]+ 460.36460 220.8
[M+K]+ 481.29394 206.2
[M+H-H2O]+ 425.32804 201.9
[M+HCOO]- 487.32898 216.6
[M+CH3COO]- 501.34463 216.7
[M+Na-2H]- 463.30545 204.6
[M]+ 442.33023 205.0
[M]- 442.33133 205.0
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.