CID 9554019

Brn 5601312

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]+ 334.22374 182.5
[M+Na]+ 356.20568 184.8
[M-H]- 332.20918 185.1
[M+NH4]+ 351.25028 191.6
[M+K]+ 372.17962 182.5
[M+H-H2O]+ 316.21372 171.7
[M+HCOO]- 378.21466 198.3
[M+CH3COO]- 392.23031 216.4
[M+Na-2H]- 354.19113 185.7
[M]+ 333.21591 180.1
[M]- 333.21701 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.