CID 13382884

Brn 5587849

Structural Information

Molecular Formula
C13H19N5O
SMILES
C1CCC(=NNC2=NN=C(C=C2)N3CCOCC3)C1
InChI
InChI=1S/C13H19N5O/c1-2-4-11(3-1)14-15-12-5-6-13(17-16-12)18-7-9-19-10-8-18/h5-6H,1-4,7-10H2,(H,15,16)
InChIKey
SLXIFGSAJLELRG-UHFFFAOYSA-N
Compound name
N-(cyclopentylideneamino)-6-morpholin-4-ylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.15897 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16625 159.1
[M+Na]+ 284.14819 162.1
[M-H]- 260.15169 165.2
[M+NH4]+ 279.19279 171.0
[M+K]+ 300.12213 160.1
[M+H-H2O]+ 244.15623 147.6
[M+HCOO]- 306.15717 177.7
[M+CH3COO]- 320.17282 168.7
[M+Na-2H]- 282.13364 163.5
[M]+ 261.15842 152.4
[M]- 261.15952 152.4
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.