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 186.4
[M+Na]+ 379.18530 190.4
[M-H]- 355.18880 189.5
[M+NH4]+ 374.22990 192.1
[M+K]+ 395.15924 185.0
[M+H-H2O]+ 339.19334 173.7
[M+HCOO]- 401.19428 202.0
[M+CH3COO]- 415.20993 218.6
[M+Na-2H]- 377.17075 189.2
[M]+ 356.19553 182.2
[M]- 356.19663 182.2
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

patents stripe