CID 18043

(2-(diphenylamino)ethyl)triethylammonium bromide

Structural Information

Molecular Formula
C20H29N2
SMILES
CC[N+](CC)(CC)CCN(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H29N2/c1-4-22(5-2,6-3)18-17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,4-6,17-18H2,1-3H3/q+1
InChIKey
PFZJXWVOCVMZRI-UHFFFAOYSA-N
Compound name
triethyl-[2-(N-phenylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.23306 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.24034 174.6
[M+Na]+ 320.22228 177.5
[M-H]- 296.22578 182.8
[M+NH4]+ 315.26688 190.0
[M+K]+ 336.19622 169.0
[M+H-H2O]+ 280.23032 168.2
[M+HCOO]- 342.23126 198.7
[M+CH3COO]- 356.24691 209.7
[M+Na-2H]- 318.20773 182.6
[M]+ 297.23251 175.2
[M]- 297.23361 175.2
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.