CID 9554018

Butyric acid, 3-(2-(6-(1-pyrrolidinyl)-3-pyridazinyl)hydrazinylidene)-, tert-butyl ester

Structural Information

Molecular Formula
C16H25N5O2
SMILES
C/C(=N\NC1=NN=C(C=C1)N2CCCC2)/CC(=O)OC(C)(C)C
InChI
InChI=1S/C16H25N5O2/c1-12(11-15(22)23-16(2,3)4)17-18-13-7-8-14(20-19-13)21-9-5-6-10-21/h7-8H,5-6,9-11H2,1-4H3,(H,18,19)/b17-12+
InChIKey
VCIKFRNXTQUTFC-SFQUDFHCSA-N
Compound name
tert-butyl (3E)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.20084 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20812 177.9
[M+Na]+ 342.19006 181.4
[M-H]- 318.19356 181.4
[M+NH4]+ 337.23466 189.7
[M+K]+ 358.16400 179.6
[M+H-H2O]+ 302.19810 167.8
[M+HCOO]- 364.19904 196.4
[M+CH3COO]- 378.21469 212.8
[M+Na-2H]- 340.17551 180.1
[M]+ 319.20029 177.5
[M]- 319.20139 177.5
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.