CID 9577431

6-tert-butyl-n-[(z)-1-pyridin-4-ylethylideneamino]pyridazin-3-amine

Structural Information

Molecular Formula
C15H19N5
SMILES
C/C(=N/NC1=NN=C(C=C1)C(C)(C)C)/C2=CC=NC=C2
InChI
InChI=1S/C15H19N5/c1-11(12-7-9-16-10-8-12)17-19-14-6-5-13(18-20-14)15(2,3)4/h5-10H,1-4H3,(H,19,20)/b17-11-
InChIKey
XQNGJKROAGOOLH-BOPFTXTBSA-N
Compound name
6-tert-butyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16403 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17131 166.0
[M+Na]+ 292.15325 172.5
[M-H]- 268.15675 170.0
[M+NH4]+ 287.19785 178.3
[M+K]+ 308.12719 168.6
[M+H-H2O]+ 252.16129 155.7
[M+HCOO]- 314.16223 187.1
[M+CH3COO]- 328.17788 205.7
[M+Na-2H]- 290.13870 174.0
[M]+ 269.16348 165.8
[M]- 269.16458 165.8
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.