CID 9554019

Butyric acid, 3-(2-(6-piperidino-3-pyridazinyl)hydrazinylidene)-, tert-butyl ester

Structural Information

Molecular Formula
C17H27N5O2
SMILES
C/C(=N\NC1=NN=C(C=C1)N2CCCCC2)/CC(=O)OC(C)(C)C
InChI
InChI=1S/C17H27N5O2/c1-13(12-16(23)24-17(2,3)4)18-19-14-8-9-15(21-20-14)22-10-6-5-7-11-22/h8-9H,5-7,10-12H2,1-4H3,(H,19,20)/b18-13+
InChIKey
KQEQHFSRUQOMCJ-QGOAFFKASA-N
Compound name
tert-butyl (3E)-3-[(6-piperidin-1-ylpyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.21646 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.223736 182.5
[M+Na]+ 356.205678 184.8
[M-H]- 332.209184 185.1
[M+NH4]+ 351.250283 191.6
[M+K]+ 372.179618 182.5
[M+H-H2O]+ 316.213720 171.7
[M+HCOO]- 378.214661 198.3
[M+CH3COO]- 392.230311 216.4
[M+Na-2H]- 354.191126 185.7
[M]+ 333.21591142 180.1
[M]- 333.21700858 180.1
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.