CID 9570307

Ammonium, (2-butenediylidenebis(nitrilooxytrimethylene))bis(trimethyl-, diiodide

Structural Information

Molecular Formula
C16H34N4O2
SMILES
C[N+](CCCO/N=C/C=C/C=N/OCCC[N+](C)(C)C)(C)C
InChI
InChI=1S/C16H34N4O2/c1-19(2,3)13-9-15-21-17-11-7-8-12-18-22-16-10-14-20(4,5)6/h7-8,11-12H,9-10,13-16H2,1-6H3/q+2/b8-7+,17-11+,18-12+
InChIKey
CEDRKXFWILOKHX-MPACLXOPSA-N
Compound name
trimethyl-[3-[(E)-[(E,4E)-4-[3-(trimethylazaniumyl)propoxyimino]but-2-enylidene]amino]oxypropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.2682 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.27548 171.9
[M+Na]+ 337.25742 175.0
[M-H]- 313.26092 176.8
[M+NH4]+ 332.30202 237.0
[M+K]+ 353.23136 164.5
[M+H-H2O]+ 297.26546 170.0
[M+HCOO]- 359.26640 257.3
[M+CH3COO]- 373.28205 213.9
[M+Na-2H]- 335.24287 183.9
[M]+ 314.26765 177.0
[M]- 314.26875 177.0
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.