CID 13382916

Brn 5614149

Structural Information

Molecular Formula
C17H28N6O2
SMILES
C/C(=N\NC1=NN=C(C=C1)N2CCN(CC2)C)/CC(=O)OC(C)(C)C
InChI
InChI=1S/C17H28N6O2/c1-13(12-16(24)25-17(2,3)4)18-19-14-6-7-15(21-20-14)23-10-8-22(5)9-11-23/h6-7H,8-12H2,1-5H3,(H,19,20)/b18-13+
InChIKey
WGAYFGKXRIEOSY-QGOAFFKASA-N
Compound name
tert-butyl (3E)-3-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2274 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23468 187.7
[M+Na]+ 371.21662 191.0
[M-H]- 347.22012 189.4
[M+NH4]+ 366.26122 195.2
[M+K]+ 387.19056 188.5
[M+H-H2O]+ 331.22466 176.6
[M+HCOO]- 393.22560 202.2
[M+CH3COO]- 407.24125 220.4
[M+Na-2H]- 369.20207 190.4
[M]+ 348.22685 186.3
[M]- 348.22795 186.3
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.