CID 516522

Rbt 556

Structural Information

Molecular Formula
C25H32N4O
SMILES
C1CNCCC1CNCC2=C(C=CC(=C2)C3=NC4=CC=CC=C4C=C3)OCCCN
InChI
InChI=1S/C25H32N4O/c26-12-3-15-30-25-9-7-21(24-8-6-20-4-1-2-5-23(20)29-24)16-22(25)18-28-17-19-10-13-27-14-11-19/h1-2,4-9,16,19,27-28H,3,10-15,17-18,26H2
InChIKey
FFIYGEOIQOYHMC-UHFFFAOYSA-N
Compound name
3-[2-[(piperidin-4-ylmethylamino)methyl]-4-quinolin-2-ylphenoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.2576 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26488 197.8
[M+Na]+ 427.24682 199.5
[M-H]- 403.25032 201.7
[M+NH4]+ 422.29142 204.3
[M+K]+ 443.22076 191.4
[M+H-H2O]+ 387.25486 185.4
[M+HCOO]- 449.25580 212.4
[M+CH3COO]- 463.27145 203.5
[M+Na-2H]- 425.23227 200.7
[M]+ 404.25705 191.8
[M]- 404.25815 191.8
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.