CID 453381

Phenol, 4-((4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)methyl)-2,6-dimethyl-

Structural Information

Molecular Formula
C20H28N4O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)C)O)C
InChI
InChI=1S/C20H28N4O/c1-4-21-18-6-5-7-22-20(18)24-10-8-23(9-11-24)14-17-12-15(2)19(25)16(3)13-17/h5-7,12-13,21,25H,4,8-11,14H2,1-3H3
InChIKey
VAMZJJLNVAPDHG-UHFFFAOYSA-N
Compound name
4-[[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]methyl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

340.22632 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.23360 187.7
[M+Na]+ 363.21554 193.2
[M-H]- 339.21904 191.5
[M+NH4]+ 358.26014 196.1
[M+K]+ 379.18948 186.7
[M+H-H2O]+ 323.22358 176.2
[M+HCOO]- 385.22452 202.6
[M+CH3COO]- 399.24017 215.4
[M+Na-2H]- 361.20099 188.4
[M]+ 340.22577 184.2
[M]- 340.22687 184.2
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