CID 9570779

69579-13-1

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

5
Patents

335.19574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.203016 182.4
[M+Na]+ 358.184958 185.2
[M-H]- 334.188464 185.9
[M+NH4]+ 353.229563 190.1
[M+K]+ 374.158898 184.6
[M+H-H2O]+ 318.193000 171.6
[M+HCOO]- 380.193941 197.9
[M+CH3COO]- 394.209591 215.8
[M+Na-2H]- 356.170406 186.7
[M]+ 335.19519142 181.7
[M]- 335.19628858 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