CID 57837

Benzyldiethyl(2-hydroxyethyl)ammonium bromide dibutylcarbamate

Structural Information

Molecular Formula
C22H39N2O2
SMILES
CCCCN(CCCC)C(=O)OCC[N+](CC)(CC)CC1=CC=CC=C1
InChI
InChI=1S/C22H39N2O2/c1-5-9-16-23(17-10-6-2)22(25)26-19-18-24(7-3,8-4)20-21-14-12-11-13-15-21/h11-15H,5-10,16-20H2,1-4H3/q+1
InChIKey
GTZKFMIDYMXWLO-UHFFFAOYSA-N
Compound name
benzyl-[2-(dibutylcarbamoyloxy)ethyl]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.30115 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.30843 196.5
[M+Na]+ 386.29037 197.5
[M-H]- 362.29387 200.9
[M+NH4]+ 381.33497 209.7
[M+K]+ 402.26431 190.2
[M+H-H2O]+ 346.29841 190.4
[M+HCOO]- 408.29935 218.3
[M+CH3COO]- 422.31500 222.3
[M+Na-2H]- 384.27582 200.0
[M]+ 363.30060 201.8
[M]- 363.30170 201.8
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.