CID 9588126

Gyki 11792

Structural Information

Molecular Formula
C13H19N5O3
SMILES
C/C(=N\NC1=NN=C(C=C1)N2CCOCC2)/CCC(=O)O
InChI
InChI=1S/C13H19N5O3/c1-10(2-5-13(19)20)14-15-11-3-4-12(17-16-11)18-6-8-21-9-7-18/h3-4H,2,5-9H2,1H3,(H,15,16)(H,19,20)/b14-10+
InChIKey
LLFGGVHGZKSKQJ-GXDHUFHOSA-N
Compound name
(4E)-4-[(6-morpholin-4-ylpyridazin-3-yl)hydrazinylidene]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1488 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15608 168.8
[M+Na]+ 316.13802 171.9
[M-H]- 292.14152 170.9
[M+NH4]+ 311.18262 177.2
[M+K]+ 332.11196 170.5
[M+H-H2O]+ 276.14606 157.9
[M+HCOO]- 338.14700 185.3
[M+CH3COO]- 352.16265 205.4
[M+Na-2H]- 314.12347 173.2
[M]+ 293.14825 165.8
[M]- 293.14935 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.