CID 13118150

1-piperazinepropanamide, n-(4-aminophenyl)-4-(6-methoxy-2-pyridinyl)-, hydrochloride, hydrate (2:4:3)

Structural Information

Molecular Formula
C19H25N5O2
SMILES
COC1=CC=CC(=N1)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)N
InChI
InChI=1S/C19H25N5O2/c1-26-19-4-2-3-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-7-5-15(20)6-8-16/h2-8H,9-14,20H2,1H3,(H,21,25)
InChIKey
JJBFLDDWHPWOKS-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)-3-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

355.20084 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20812 186.7
[M+Na]+ 378.19006 198.0
[M+NH4]+ 373.23466 192.2
[M+K]+ 394.16400 191.6
[M-H]- 354.19356 191.4
[M+Na-2H]- 376.17551 194.0
[M]+ 355.20029 189.3
[M]- 355.20139 189.3
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

patents stripe