CID 46753

Carbonic acid, bis(3-(trimethylammonio)phenyl) ester, dimethylsulfate

Structural Information

Molecular Formula
C19H26N2O3
SMILES
C[N+](C)(C)C1=CC(=CC=C1)OC(=O)OC2=CC=CC(=C2)[N+](C)(C)C
InChI
InChI=1S/C19H26N2O3/c1-20(2,3)15-9-7-11-17(13-15)23-19(22)24-18-12-8-10-16(14-18)21(4,5)6/h7-14H,1-6H3/q+2
InChIKey
PCVXIWYYAXZDPE-UHFFFAOYSA-N
Compound name
trimethyl-[3-[3-(trimethylazaniumyl)phenoxy]carbonyloxyphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.19434 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 176.5
[M+Na]+ 353.18356 181.9
[M-H]- 329.18706 186.2
[M+NH4]+ 348.22816 190.9
[M+K]+ 369.15750 169.9
[M+H-H2O]+ 313.19160 173.8
[M+HCOO]- 375.19254 199.3
[M+CH3COO]- 389.20819 206.4
[M+Na-2H]- 351.16901 187.7
[M]+ 330.19379 178.5
[M]- 330.19489 178.5
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.