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 178.7
[M+Na]+ 350.16998 182.8
[M-H]- 326.17348 180.3
[M+NH4]+ 345.21458 183.9
[M+K]+ 366.14392 176.8
[M+H-H2O]+ 310.17802 165.6
[M+HCOO]- 372.17896 193.3
[M+CH3COO]- 386.19461 185.6
[M+Na-2H]- 348.15543 183.4
[M]+ 327.18021 172.6
[M]- 327.18131 172.6
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