CID 9589533

1h-imidazolium, 1,4-(tetramethylene)bis(2-((hydroxyimino)methyl)-3-methyl-, dichloride

Structural Information

Molecular Formula
C14H20N6O2
SMILES
CN1C=CN(C1/C=N/[O-])CC/C=C/N2C=CN(C2/C=N/[O-])C
InChI
InChI=1S/C14H22N6O2/c1-17-7-9-19(13(17)11-15-21)5-3-4-6-20-10-8-18(2)14(20)12-16-22/h3,5,7-14,21-22H,4,6H2,1-2H3/p-2/b5-3+,15-11+,16-12+
InChIKey
JJPRJGJVNKZKEP-FELGWNCOSA-L
Compound name
(E)-1-[1-methyl-3-[(E)-4-[3-methyl-2-[(E)-oxidoiminomethyl]-2H-imidazol-1-yl]but-3-enyl]-2H-imidazol-2-yl]-N-oxidomethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.16476 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17204 174.9
[M+Na]+ 327.15398 180.9
[M-H]- 303.15748 176.3
[M+NH4]+ 322.19858 187.3
[M+K]+ 343.12792 178.7
[M+H-H2O]+ 287.16202 168.7
[M+HCOO]- 349.16296 196.8
[M+CH3COO]- 363.17861 207.5
[M+Na-2H]- 325.13943 173.8
[M]+ 304.16421 173.2
[M]- 304.16531 173.2
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.