CID 13382911

Butanoic acid, 3-((6-(dimethylamino)-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester, hcl

Structural Information

Molecular Formula
C14H23N5O2
SMILES
C/C(=N\NC1=NN=C(C=C1)N(C)C)/CC(=O)OC(C)(C)C
InChI
InChI=1S/C14H23N5O2/c1-10(9-13(20)21-14(2,3)4)15-16-11-7-8-12(18-17-11)19(5)6/h7-8H,9H2,1-6H3,(H,16,17)/b15-10+
InChIKey
LOIDJSQLPFXMPV-XNTDXEJSSA-N
Compound name
tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.18518 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19246 169.5
[M+Na]+ 316.17440 177.3
[M+NH4]+ 311.21900 174.0
[M+K]+ 332.14834 174.2
[M-H]- 292.17790 170.0
[M+Na-2H]- 314.15985 173.9
[M]+ 293.18463 170.3
[M]- 293.18573 170.3
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.