CID 44153163

Brn 5600649

Structural Information

Molecular Formula
C16H23N5O2
SMILES
C1CCCC(=O)/C(=N/NC2=NN=C(C=C2)N3CCOCC3)/CC1
InChI
InChI=1S/C16H23N5O2/c22-14-6-4-2-1-3-5-13(14)17-18-15-7-8-16(20-19-15)21-9-11-23-12-10-21/h7-8H,1-6,9-12H2,(H,18,19)/b17-13+
InChIKey
FOCZHLXFCZPCQE-GHRIWEEISA-N
Compound name
(2E)-2-[(6-morpholin-4-ylpyridazin-3-yl)hydrazinylidene]cyclooctan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.18518 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19246 162.4
[M+Na]+ 340.17440 165.1
[M-H]- 316.17790 165.2
[M+NH4]+ 335.21900 166.2
[M+K]+ 356.14834 164.9
[M+H-H2O]+ 300.18244 156.0
[M+HCOO]- 362.18338 169.4
[M+CH3COO]- 376.19903 165.5
[M+Na-2H]- 338.15985 162.5
[M]+ 317.18463 158.9
[M]- 317.18573 158.9
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.