CID 18043

2933-24-6

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]+ 298.240336 174.6
[M+Na]+ 320.222278 177.5
[M-H]- 296.225784 182.8
[M+NH4]+ 315.266883 190.0
[M+K]+ 336.196218 169.0
[M+H-H2O]+ 280.230320 168.2
[M+HCOO]- 342.231261 198.7
[M+CH3COO]- 356.246911 209.7
[M+Na-2H]- 318.207726 182.6
[M]+ 297.23251142 175.2
[M]- 297.23360858 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.