CID 3065472

108118-36-1

Structural Information

Molecular Formula
C18H28N2O2
SMILES
C1CCN(CC1)CC2=C(C(=C(C=C2)O)CN3CCCCC3)O
InChI
InChI=1S/C18H28N2O2/c21-17-8-7-15(13-19-9-3-1-4-10-19)18(22)16(17)14-20-11-5-2-6-12-20/h7-8,21-22H,1-6,9-14H2
InChIKey
UMADSTMWTASFPL-UHFFFAOYSA-N
Compound name
2,4-bis(piperidin-1-ylmethyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 177.6
[M+Na]+ 327.20432 188.7
[M+NH4]+ 322.24892 184.9
[M+K]+ 343.17826 181.5
[M-H]- 303.20782 181.7
[M+Na-2H]- 325.18977 183.2
[M]+ 304.21455 180.1
[M]- 304.21565 180.1
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.