CID 218414

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

Structural Information

Molecular Formula
C16H21N7O
SMILES
C1CN(CCN1CCNC(=O)C2=NN=C(C=C2)N)C3=CC=CC=N3
InChI
InChI=1S/C16H21N7O/c17-14-5-4-13(20-21-14)16(24)19-7-8-22-9-11-23(12-10-22)15-3-1-2-6-18-15/h1-6H,7-12H2,(H2,17,21)(H,19,24)
InChIKey
NSENMGBPQBDNCT-UHFFFAOYSA-N
Compound name
6-amino-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18076 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.18804 176.9
[M+Na]+ 350.16998 188.5
[M+NH4]+ 345.21458 181.7
[M+K]+ 366.14392 182.7
[M-H]- 326.17348 180.4
[M+Na-2H]- 348.15543 184.9
[M]+ 327.18021 179.1
[M]- 327.18131 179.1
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.