CID 6433636

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

Structural Information

Molecular Formula
C18H32N4O2
SMILES
C[N+](CCO/N=C\C1=CC=C(C=C1)/C=N\OCC[N+](C)(C)C)(C)C
InChI
InChI=1S/C18H32N4O2/c1-21(2,3)11-13-23-19-15-17-7-9-18(10-8-17)16-20-24-14-12-22(4,5)6/h7-10,15-16H,11-14H2,1-6H3/q+2/b19-15-,20-16-
InChIKey
VQWIIMBSXZIOAR-IKBKFCNISA-N
Compound name
trimethyl-[2-[(Z)-[4-[(Z)-2-(trimethylazaniumyl)ethoxyiminomethyl]phenyl]methylideneamino]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.25253 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.25981 177.5
[M+Na]+ 359.24175 181.1
[M-H]- 335.24525 185.8
[M+NH4]+ 354.28635 192.6
[M+K]+ 375.21569 170.0
[M+H-H2O]+ 319.24979 174.4
[M+HCOO]- 381.25073 205.2
[M+CH3COO]- 395.26638 217.9
[M+Na-2H]- 357.22720 190.3
[M]+ 336.25198 182.0
[M]- 336.25308 182.0
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.