CID 9578395

(4,4'-biphenylylenebis(methylidynenitrilooxyethylene))bis(trimethylammonium) diiodide

Structural Information

Molecular Formula
C24H36N4O2
SMILES
C[N+](CCO/N=C/C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/OCC[N+](C)(C)C)(C)C
InChI
InChI=1S/C24H36N4O2/c1-27(2,3)15-17-29-25-19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-30-18-16-28(4,5)6/h7-14,19-20H,15-18H2,1-6H3/q+2/b25-19+,26-20+
InChIKey
QZVASJFLDGPHLO-FQHZWJPGSA-N
Compound name
trimethyl-[2-[(E)-[4-[4-[(E)-2-(trimethylazaniumyl)ethoxyiminomethyl]phenyl]phenyl]methylideneamino]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2838 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.29108 201.4
[M+Na]+ 435.27302 204.1
[M-H]- 411.27652 212.2
[M+NH4]+ 430.31762 212.9
[M+K]+ 451.24696 191.0
[M+H-H2O]+ 395.28106 196.1
[M+HCOO]- 457.28200 228.1
[M+CH3COO]- 471.29765 232.2
[M+Na-2H]- 433.25847 212.8
[M]+ 412.28325 205.7
[M]- 412.28435 205.7
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.