CID 9588129

Gyki 11702

Structural Information

Molecular Formula
C13H19N5O3
SMILES
C/C(=N\NC1=NN=C(C=C1)C(=O)N)/CC(=O)OC(C)(C)C
InChI
InChI=1S/C13H19N5O3/c1-8(7-11(19)21-13(2,3)4)15-17-10-6-5-9(12(14)20)16-18-10/h5-6H,7H2,1-4H3,(H2,14,20)(H,17,18)/b15-8+
InChIKey
LJTOREQHVGFYJB-OVCLIPMQSA-N
Compound name
tert-butyl (3E)-3-[(6-carbamoylpyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1488 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15608 168.8
[M+Na]+ 316.13802 173.7
[M-H]- 292.14152 170.8
[M+NH4]+ 311.18262 181.0
[M+K]+ 332.11196 173.1
[M+H-H2O]+ 276.14606 160.1
[M+HCOO]- 338.14700 190.2
[M+CH3COO]- 352.16265 211.6
[M+Na-2H]- 314.12347 172.5
[M]+ 293.14825 169.7
[M]- 293.14935 169.7
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.