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]+ 270.171306 166.0
[M+Na]+ 292.153248 172.5
[M-H]- 268.156754 170.0
[M+NH4]+ 287.197853 178.3
[M+K]+ 308.127188 168.6
[M+H-H2O]+ 252.161290 155.7
[M+HCOO]- 314.162231 187.1
[M+CH3COO]- 328.177881 205.7
[M+Na-2H]- 290.138696 174.0
[M]+ 269.16348142 165.8
[M]- 269.16457858 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.