CID 218413

6-amino-n-(2-(4-(6-methoxy-2-pyridinyl)-1-piperazinyl)ethyl)-3-pyridinecarboxamide hydrate

Structural Information

Molecular Formula
C18H24N6O2
SMILES
COC1=CC=CC(=N1)N2CCN(CC2)CCNC(=O)C3=CN=C(C=C3)N
InChI
InChI=1S/C18H24N6O2/c1-26-17-4-2-3-16(22-17)24-11-9-23(10-12-24)8-7-20-18(25)14-5-6-15(19)21-13-14/h2-6,13H,7-12H2,1H3,(H2,19,21)(H,20,25)
InChIKey
SOIVMPKXYJINDF-UHFFFAOYSA-N
Compound name
6-amino-N-[2-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.19608 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20336 185.7
[M+Na]+ 379.18530 197.0
[M+NH4]+ 374.22990 190.5
[M+K]+ 395.15924 191.2
[M-H]- 355.18880 189.6
[M+Na-2H]- 377.17075 192.9
[M]+ 356.19553 188.0
[M]- 356.19663 188.0
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