CID 13118158

1-piperazinepropanamide, n-(3-methoxyphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:4:1)

Structural Information

Molecular Formula
C19H24N4O2
SMILES
COC1=CC=CC(=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)21-19(24)8-10-22-11-13-23(14-12-22)18-7-2-3-9-20-18/h2-7,9,15H,8,10-14H2,1H3,(H,21,24)
InChIKey
VMIFWJUFZGJTTO-UHFFFAOYSA-N
Compound name
N-(3-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]+ 341.19718 183.3
[M+Na]+ 363.17912 195.9
[M+NH4]+ 358.22372 189.5
[M+K]+ 379.15306 188.5
[M-H]- 339.18262 187.8
[M+Na-2H]- 361.16457 191.6
[M]+ 340.18935 186.1
[M]- 340.19045 186.1
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.