CID 11971541

1-piperazinepropanamide, n-(2,6-dichlorophenyl)-4-(2-pyridinyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H20Cl2N4O
SMILES
C1CN(CCN1CCC(=O)NC2=C(C=CC=C2Cl)Cl)C3=CC=CC=N3
InChI
InChI=1S/C18H20Cl2N4O/c19-14-4-3-5-15(20)18(14)22-17(25)7-9-23-10-12-24(13-11-23)16-6-1-2-8-21-16/h1-6,8H,7,9-13H2,(H,22,25)
InChIKey
HOVOXAVLVCQRSJ-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.1014 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10868 186.7
[M+Na]+ 401.09062 192.5
[M-H]- 377.09412 190.2
[M+NH4]+ 396.13522 194.9
[M+K]+ 417.06456 184.9
[M+H-H2O]+ 361.09866 175.4
[M+HCOO]- 423.09960 193.2
[M+CH3COO]- 437.11525 194.1
[M+Na-2H]- 399.07607 188.1
[M]+ 378.10085 185.6
[M]- 378.10195 185.6
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.