CID 14293713

81080-10-6

Structural Information

Molecular Formula
C20H31N3O2
SMILES
CC(=O)NC1=CC(=C(C(=C1)CN2CCCCC2)O)CN3CCCCC3
InChI
InChI=1S/C20H31N3O2/c1-16(24)21-19-12-17(14-22-8-4-2-5-9-22)20(25)18(13-19)15-23-10-6-3-7-11-23/h12-13,25H,2-11,14-15H2,1H3,(H,21,24)
InChIKey
AVPLCNNLKMYJHF-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-3,5-bis(piperidin-1-ylmethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

345.24164 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.24892 187.0
[M+Na]+ 368.23086 187.4
[M-H]- 344.23436 190.3
[M+NH4]+ 363.27546 195.5
[M+K]+ 384.20480 182.5
[M+H-H2O]+ 328.23890 176.0
[M+HCOO]- 390.23984 198.3
[M+CH3COO]- 404.25549 213.0
[M+Na-2H]- 366.21631 185.1
[M]+ 345.24109 178.0
[M]- 345.24219 178.0
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.