CID 21149759

93940-17-1

Structural Information

Molecular Formula
C20H28NO
SMILES
CC[N+](C)(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2C
InChI
InChI=1S/C20H28NO/c1-5-21(3,4)15-16-22-20(18-12-7-6-8-13-18)19-14-10-9-11-17(19)2/h6-14,20H,5,15-16H2,1-4H3/q+1
InChIKey
GADONUXFKGVEDB-UHFFFAOYSA-N
Compound name
ethyl-dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2171 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22438 174.8
[M+Na]+ 321.20632 179.1
[M-H]- 297.20982 182.2
[M+NH4]+ 316.25092 190.1
[M+K]+ 337.18026 170.4
[M+H-H2O]+ 281.21436 169.2
[M+HCOO]- 343.21530 196.7
[M+CH3COO]- 357.23095 205.3
[M+Na-2H]- 319.19177 181.3
[M]+ 298.21655 176.1
[M]- 298.21765 176.1
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.