CID 15953886

4-[[4-[3-(ethylamino)-2-pyridyl]piperazin-1-yl]methyl]-2,6-diisopropyl-phenol

Structural Information

Molecular Formula
C24H36N4O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)C(C)C)O)C(C)C
InChI
InChI=1S/C24H36N4O/c1-6-25-22-8-7-9-26-24(22)28-12-10-27(11-13-28)16-19-14-20(17(2)3)23(29)21(15-19)18(4)5/h7-9,14-15,17-18,25,29H,6,10-13,16H2,1-5H3
InChIKey
XWDVDGWLXDXDII-UHFFFAOYSA-N
Compound name
4-[[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]methyl]-2,6-di(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2889 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.29618 203.9
[M+Na]+ 419.27812 207.0
[M-H]- 395.28162 207.2
[M+NH4]+ 414.32272 209.9
[M+K]+ 435.25206 200.8
[M+H-H2O]+ 379.28616 192.2
[M+HCOO]- 441.28710 215.4
[M+CH3COO]- 455.30275 229.0
[M+Na-2H]- 417.26357 200.5
[M]+ 396.28835 200.7
[M]- 396.28945 200.7
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

No patent data available for this compound.