CID 11971535

N-(2,6-dimethylphenyl)-4-(2-pyridinyl)-1-piperazinepropanamide dihydrochloride hydrate

Structural Information

Molecular Formula
C20H26N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C20H26N4O/c1-16-6-5-7-17(2)20(16)22-19(25)9-11-23-12-14-24(15-13-23)18-8-3-4-10-21-18/h3-8,10H,9,11-15H2,1-2H3,(H,22,25)
InChIKey
ZFNSZWRVBKSLIN-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.21066 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21794 185.2
[M+Na]+ 361.19988 189.2
[M-H]- 337.20338 189.6
[M+NH4]+ 356.24448 193.6
[M+K]+ 377.17382 183.4
[M+H-H2O]+ 321.20792 173.1
[M+HCOO]- 383.20886 200.7
[M+CH3COO]- 397.22451 214.8
[M+Na-2H]- 359.18533 186.7
[M]+ 338.21011 181.2
[M]- 338.21121 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.