CID 3019011

81741-29-9

Structural Information

Molecular Formula
C24H39N3O2
SMILES
C1CCN(CC1)CC2=CC(=C(C(=C2O)CN3CCCCC3)CN4CCCCC4)O
InChI
InChI=1S/C24H39N3O2/c28-23-16-20(17-25-10-4-1-5-11-25)24(29)22(19-27-14-8-3-9-15-27)21(23)18-26-12-6-2-7-13-26/h16,28-29H,1-15,17-19H2
InChIKey
TWOMLFAUCLQOOH-UHFFFAOYSA-N
Compound name
2,3,5-tris(piperidin-1-ylmethyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.30423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.311506 205.2
[M+Na]+ 424.293448 203.1
[M-H]- 400.296954 207.4
[M+NH4]+ 419.338053 208.9
[M+K]+ 440.267388 196.3
[M+H-H2O]+ 384.301490 191.8
[M+HCOO]- 446.302431 208.7
[M+CH3COO]- 460.318081 208.0
[M+Na-2H]- 422.278896 199.7
[M]+ 401.30368142 191.5
[M]- 401.30477858 191.5
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.