CID 3053197

Brn 5591276

Structural Information

Molecular Formula
C14H21N5O
SMILES
C1CCC(=NNC2=NN=C(C=C2)N3CCOCC3)CC1
InChI
InChI=1S/C14H21N5O/c1-2-4-12(5-3-1)15-16-13-6-7-14(18-17-13)19-8-10-20-11-9-19/h6-7H,1-5,8-11H2,(H,16,17)
InChIKey
JCEBXSUFUCRSGW-UHFFFAOYSA-N
Compound name
N-(cyclohexylideneamino)-6-morpholin-4-ylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.17462 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18190 165.1
[M+Na]+ 298.16384 166.8
[M-H]- 274.16734 170.4
[M+NH4]+ 293.20844 174.3
[M+K]+ 314.13778 164.3
[M+H-H2O]+ 258.17188 152.6
[M+HCOO]- 320.17282 181.0
[M+CH3COO]- 334.18847 173.4
[M+Na-2H]- 296.14929 170.8
[M]+ 275.17407 156.4
[M]- 275.17517 156.4
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

patents stripe