CID 3070499

86523-71-9

Structural Information

Molecular Formula
C21H28N4O
SMILES
CC1=CC(=C(C(=C1C)N2CCN(C(C2)C3=CC=CC=N3)CC(=O)N)C)C
InChI
InChI=1S/C21H28N4O/c1-14-11-15(2)17(4)21(16(14)3)25-10-9-24(13-20(22)26)19(12-25)18-7-5-6-8-23-18/h5-8,11,19H,9-10,12-13H2,1-4H3,(H2,22,26)
InChIKey
OUJCCLYTDCHIBY-UHFFFAOYSA-N
Compound name
2-[2-pyridin-2-yl-4-(2,3,5,6-tetramethylphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.22632 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23360 190.3
[M+Na]+ 375.21554 204.2
[M+NH4]+ 370.26014 196.6
[M+K]+ 391.18948 196.8
[M-H]- 351.21904 195.5
[M+Na-2H]- 373.20099 197.1
[M]+ 352.22577 193.7
[M]- 352.22687 193.7
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.