CID 15953883

Piperazine deriv.

Structural Information

Molecular Formula
C21H30N4O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)CCC3=CC(=C(C(=C3)C)O)C
InChI
InChI=1S/C21H30N4O/c1-4-22-19-6-5-8-23-21(19)25-12-10-24(11-13-25)9-7-18-14-16(2)20(26)17(3)15-18/h5-6,8,14-15,22,26H,4,7,9-13H2,1-3H3
InChIKey
WFFSVSRUHIOACQ-UHFFFAOYSA-N
Compound name
4-[2-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]ethyl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

354.24197 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24925 192.0
[M+Na]+ 377.23119 197.0
[M-H]- 353.23469 195.5
[M+NH4]+ 372.27579 199.8
[M+K]+ 393.20513 190.2
[M+H-H2O]+ 337.23923 180.2
[M+HCOO]- 399.24017 206.4
[M+CH3COO]- 413.25582 218.3
[M+Na-2H]- 375.21664 192.1
[M]+ 354.24142 188.8
[M]- 354.24252 188.8
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