CID 6328180

Ammonium, (methylphenylethanediylidenebis(nitrilooxyethylene))bis(trimethyl-, diiodide

Structural Information

Molecular Formula
C19H34N4O2
SMILES
C/C(=N\OCC[N+](C)(C)C)/C(=N\OCC[N+](C)(C)C)/C1=CC=CC=C1
InChI
InChI=1S/C19H34N4O2/c1-17(20-24-15-13-22(2,3)4)19(18-11-9-8-10-12-18)21-25-16-14-23(5,6)7/h8-12H,13-16H2,1-7H3/q+2/b20-17+,21-19+
InChIKey
VCKCGYSIZPQTHP-MRHDUWADSA-N
Compound name
trimethyl-[2-[(E)-[(1Z)-1-phenyl-1-[2-(trimethylazaniumyl)ethoxyimino]propan-2-ylidene]amino]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2682 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.27548 181.7
[M+Na]+ 373.25742 183.5
[M-H]- 349.26092 189.6
[M+NH4]+ 368.30202 195.8
[M+K]+ 389.23136 173.2
[M+H-H2O]+ 333.26546 178.5
[M+HCOO]- 395.26640 207.2
[M+CH3COO]- 409.28205 220.9
[M+Na-2H]- 371.24287 192.4
[M]+ 350.26765 184.9
[M]- 350.26875 184.9
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.