CID 18009

(2-(diphenylamino)ethyl)trimethylammonium bromide

Structural Information

Molecular Formula
C17H23N2
SMILES
C[N+](C)(C)CCN(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H23N2/c1-19(2,3)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3/q+1
InChIKey
SCWFPOLLEQQFQS-UHFFFAOYSA-N
Compound name
trimethyl-[2-(N-phenylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18613 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19341 160.3
[M+Na]+ 278.17535 164.6
[M-H]- 254.17885 169.1
[M+NH4]+ 273.21995 177.5
[M+K]+ 294.14929 156.8
[M+H-H2O]+ 238.18339 154.6
[M+HCOO]- 300.18433 185.5
[M+CH3COO]- 314.19998 200.7
[M+Na-2H]- 276.16080 170.0
[M]+ 255.18558 160.0
[M]- 255.18668 160.0
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.