CID 45205616

Cx11

Structural Information

Molecular Formula
C26H43N3O2
SMILES
COC1=C(C=C(C=C1)CN(CCN2CCCCC2)CC3CCCN(C3)C4CCCC4)O
InChI
InChI=1S/C26H43N3O2/c1-31-26-12-11-22(18-25(26)30)19-28(17-16-27-13-5-2-6-14-27)20-23-8-7-15-29(21-23)24-9-3-4-10-24/h11-12,18,23-24,30H,2-10,13-17,19-21H2,1H3
InChIKey
KGSZXPDVBFXVJJ-UHFFFAOYSA-N
Compound name
5-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

429.33554 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.34282 208.9
[M+Na]+ 452.32476 205.5
[M-H]- 428.32826 215.2
[M+NH4]+ 447.36936 215.6
[M+K]+ 468.29870 200.8
[M+H-H2O]+ 412.33280 196.2
[M+HCOO]- 474.33374 218.6
[M+CH3COO]- 488.34939 230.8
[M+Na-2H]- 450.31021 201.9
[M]+ 429.33499 199.7
[M]- 429.33609 199.7
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

patents stripe