CID 11971559

1-piperazinepropanamide, n-(4-cyanophenyl)-4-(2-pyridinyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H21N5O
SMILES
C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)C#N)C3=CC=CC=N3
InChI
InChI=1S/C19H21N5O/c20-15-16-4-6-17(7-5-16)22-19(25)8-10-23-11-13-24(14-12-23)18-3-1-2-9-21-18/h1-7,9H,8,10-14H2,(H,22,25)
InChIKey
RXUMTCAECTUBAX-UHFFFAOYSA-N
Compound name
N-(4-cyanophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.17462 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18190 179.3
[M+Na]+ 358.16384 184.7
[M-H]- 334.16734 180.9
[M+NH4]+ 353.20844 185.8
[M+K]+ 374.13778 177.5
[M+H-H2O]+ 318.17188 160.6
[M+HCOO]- 380.17282 191.5
[M+CH3COO]- 394.18847 185.3
[M+Na-2H]- 356.14929 181.5
[M]+ 335.17407 169.2
[M]- 335.17517 169.2
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.