CID 9589531

1h-imidazolium, 1,3-(trimethylene)bis(2-((hydroxyimino)methyl)-3-methyl-, dichloride

Structural Information

Molecular Formula
C13H18N6O2
SMILES
CN1C=CN(C1/C=N/[O-])C/C=C/N2C=CN(C2/C=N/[O-])C
InChI
InChI=1S/C13H20N6O2/c1-16-6-8-18(12(16)10-14-20)4-3-5-19-9-7-17(2)13(19)11-15-21/h3-4,6-13,20-21H,5H2,1-2H3/p-2/b4-3+,14-10+,15-11+
InChIKey
FZZRIHFGSONNMR-BQWISWECSA-L
Compound name
(E)-1-[1-methyl-3-[(E)-3-[3-methyl-2-[(E)-oxidoiminomethyl]-2H-imidazol-1-yl]prop-2-enyl]-2H-imidazol-2-yl]-N-oxidomethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1491 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15638 169.0
[M+Na]+ 313.13832 176.1
[M+NH4]+ 308.18292 171.9
[M+K]+ 329.11226 177.0
[M-H]- 289.14182 168.2
[M+Na-2H]- 311.12377 169.8
[M]+ 290.14855 168.4
[M]- 290.14965 168.4
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.