CID 6433535

(p-phenylenebis(methylidynenitrilooxyethylene))bis(diethylmethylammonium) diiodide

Structural Information

Molecular Formula
C22H40N4O2
SMILES
CC[N+](CCO/N=C\C1=CC=C(C=C1)/C=N\OCC[N+](CC)(CC)C)(CC)C
InChI
InChI=1S/C22H40N4O2/c1-7-25(5,8-2)15-17-27-23-19-21-11-13-22(14-12-21)20-24-28-18-16-26(6,9-3)10-4/h11-14,19-20H,7-10,15-18H2,1-6H3/q+2/b23-19-,24-20-
InChIKey
BNGPPLADBOFUAA-SRPFLQSCSA-N
Compound name
2-[(Z)-[4-[(Z)-2-[diethyl(methyl)azaniumyl]ethoxyiminomethyl]phenyl]methylideneamino]oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.31512 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.32240 196.1
[M+Na]+ 415.30434 198.0
[M-H]- 391.30784 203.6
[M+NH4]+ 410.34894 208.9
[M+K]+ 431.27828 185.9
[M+H-H2O]+ 375.31238 192.1
[M+HCOO]- 437.31332 222.4
[M+CH3COO]- 451.32897 229.8
[M+Na-2H]- 413.28979 206.9
[M]+ 392.31457 202.0
[M]- 392.31567 202.0
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.