CID 59253

(2-benzilamidoethyl)diethylmethylammonium iodide

Structural Information

Molecular Formula
C21H29N2O2
SMILES
CC[N+](C)(CC)CCNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H28N2O2/c1-4-23(3,5-2)17-16-22-20(24)21(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,25H,4-5,16-17H2,1-3H3/p+1
InChIKey
RERISHFHDQIJKF-UHFFFAOYSA-O
Compound name
diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2229 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.23018 183.1
[M+Na]+ 364.21212 185.3
[M-H]- 340.21562 188.8
[M+NH4]+ 359.25672 195.3
[M+K]+ 380.18606 176.1
[M+H-H2O]+ 324.22016 177.6
[M+HCOO]- 386.22110 203.1
[M+CH3COO]- 400.23675 209.9
[M+Na-2H]- 362.19757 191.4
[M]+ 341.22235 181.9
[M]- 341.22345 181.9
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.