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

1
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 182.4
[M+Na]+ 358.18496 185.2
[M-H]- 334.18846 185.9
[M+NH4]+ 353.22956 190.1
[M+K]+ 374.15890 184.6
[M+H-H2O]+ 318.19300 171.6
[M+HCOO]- 380.19394 197.9
[M+CH3COO]- 394.20959 215.8
[M+Na-2H]- 356.17041 186.7
[M]+ 335.19519 181.7
[M]- 335.19629 181.7
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

patents stripe