CID 13118143

1-piperazinepropanamide, n-(4-methoxyphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:4:1)

Structural Information

Molecular Formula
C19H24N4O2
SMILES
COC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H24N4O2/c1-25-17-7-5-16(6-8-17)21-19(24)9-11-22-12-14-23(15-13-22)18-4-2-3-10-20-18/h2-8,10H,9,11-15H2,1H3,(H,21,24)
InChIKey
HCLPWZUXZPDCAB-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.197176 182.7
[M+Na]+ 363.179118 186.0
[M-H]- 339.182624 186.8
[M+NH4]+ 358.223723 190.5
[M+K]+ 379.153058 181.1
[M+H-H2O]+ 323.187160 170.3
[M+HCOO]- 385.188101 198.7
[M+CH3COO]- 399.203751 212.8
[M+Na-2H]- 361.164566 185.7
[M]+ 340.18935142 179.3
[M]- 340.19044858 179.3
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.