CID 510208

Chembl320737

Structural Information

Molecular Formula
C18H22ClN5O2
SMILES
C1CN(CCC1CCOC2=CC=C(C=C2)C(=O)NN)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C18H22ClN5O2/c19-16-5-6-17(23-22-16)24-10-7-13(8-11-24)9-12-26-15-3-1-14(2-4-15)18(25)21-20/h1-6,13H,7-12,20H2,(H,21,25)
InChIKey
FBLOMXYWHWRYEB-UHFFFAOYSA-N
Compound name
4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.1462 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15348 187.7
[M+Na]+ 398.13542 192.2
[M-H]- 374.13892 191.7
[M+NH4]+ 393.18002 194.8
[M+K]+ 414.10936 186.0
[M+H-H2O]+ 358.14346 176.0
[M+HCOO]- 420.14440 200.0
[M+CH3COO]- 434.16005 219.2
[M+Na-2H]- 396.12087 189.8
[M]+ 375.14565 185.2
[M]- 375.14675 185.2
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

No patent data available for this compound.