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 191.8
[M+Na]+ 375.21554 198.2
[M-H]- 351.21904 196.8
[M+NH4]+ 370.26014 200.3
[M+K]+ 391.18948 191.9
[M+H-H2O]+ 335.22358 180.4
[M+HCOO]- 397.22452 206.3
[M+CH3COO]- 411.24017 221.6
[M+Na-2H]- 373.20099 189.4
[M]+ 352.22577 188.6
[M]- 352.22687 188.6
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.