CID 9588130

Gyki 11744

Structural Information

Molecular Formula
C14H21N5O3
SMILES
C/C(=N\NC1=NN=C(C=C1)N2CCOCC2)/CCCC(=O)O
InChI
InChI=1S/C14H21N5O3/c1-11(3-2-4-14(20)21)15-16-12-5-6-13(18-17-12)19-7-9-22-10-8-19/h5-6H,2-4,7-10H2,1H3,(H,16,17)(H,20,21)/b15-11+
InChIKey
OYIPTEBKNBVQEJ-RVDMUPIBSA-N
Compound name
(5E)-5-[(6-morpholin-4-ylpyridazin-3-yl)hydrazinylidene]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.16443 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17171 173.1
[M+Na]+ 330.15365 175.7
[M-H]- 306.15715 175.1
[M+NH4]+ 325.19825 180.9
[M+K]+ 346.12759 174.1
[M+H-H2O]+ 290.16169 162.0
[M+HCOO]- 352.16263 189.3
[M+CH3COO]- 366.17828 208.4
[M+Na-2H]- 328.13910 177.0
[M]+ 307.16388 170.5
[M]- 307.16498 170.5
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.