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]+ 328.21452 181.0
[M+Na]+ 350.19646 183.9
[M-H]- 326.19996 189.4
[M+NH4]+ 345.24106 195.1
[M+K]+ 366.17040 176.5
[M+H-H2O]+ 310.20450 174.5
[M+HCOO]- 372.20544 204.8
[M+CH3COO]- 386.22109 211.9
[M+Na-2H]- 348.18191 188.1
[M]+ 327.20669 182.9
[M]- 327.20779 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.