CID 115907

Choline, iodide, dibenzylcarbamate

Structural Information

Molecular Formula
C20H27N2O2
SMILES
C[N+](C)(C)CCOC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C20H27N2O2/c1-22(2,3)14-15-24-20(23)21(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3/q+1
InChIKey
BNCASSKMYYFVMX-UHFFFAOYSA-N
Compound name
2-(dibenzylcarbamoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.20724 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.214516 181.0
[M+Na]+ 350.196458 183.9
[M-H]- 326.199964 189.4
[M+NH4]+ 345.241063 195.1
[M+K]+ 366.170398 176.5
[M+H-H2O]+ 310.204500 174.5
[M+HCOO]- 372.205441 204.8
[M+CH3COO]- 386.221091 211.9
[M+Na-2H]- 348.181906 188.1
[M]+ 327.20669142 182.9
[M]- 327.20778858 182.9
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.