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]+ 339.217936 185.2
[M+Na]+ 361.199878 189.2
[M-H]- 337.203384 189.6
[M+NH4]+ 356.244483 193.6
[M+K]+ 377.173818 183.4
[M+H-H2O]+ 321.207920 173.1
[M+HCOO]- 383.208861 200.7
[M+CH3COO]- 397.224511 214.8
[M+Na-2H]- 359.185326 186.7
[M]+ 338.21011142 181.2
[M]- 338.21120858 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.