CID 9570779

Rgh-5526

Structural Information

Molecular Formula
C16H25N5O3
SMILES
C/C(=N\NC1=NN=C(C=C1)N2CCOCC2)/CC(=O)OC(C)(C)C
InChI
InChI=1S/C16H25N5O3/c1-12(11-15(22)24-16(2,3)4)17-18-13-5-6-14(20-19-13)21-7-9-23-10-8-21/h5-6H,7-11H2,1-4H3,(H,18,19)/b17-12+
InChIKey
YCVVCSICMNKDBE-SFQUDFHCSA-N
Compound name
tert-butyl (3E)-3-[(6-morpholin-4-ylpyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.19574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20302 179.6
[M+Na]+ 358.18496 187.9
[M+NH4]+ 353.22956 183.5
[M+K]+ 374.15890 184.6
[M-H]- 334.18846 181.7
[M+Na-2H]- 356.17041 183.7
[M]+ 335.19519 180.9
[M]- 335.19629 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.