CID 46786

64048-46-0

Structural Information

Molecular Formula
C22H30NO2
SMILES
CC[N+](CC)(CC)CCOC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H30NO2/c1-4-23(5-2,6-3)16-17-25-22(24)18-19-12-14-21(15-13-19)20-10-8-7-9-11-20/h7-15H,4-6,16-18H2,1-3H3/q+1
InChIKey
PUKRDOHVLXTDLO-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-(4-phenylphenyl)acetyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.22766 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.23494 187.1
[M+Na]+ 363.21688 190.7
[M-H]- 339.22038 194.1
[M+NH4]+ 358.26148 200.6
[M+K]+ 379.19082 181.5
[M+H-H2O]+ 323.22492 180.9
[M+HCOO]- 385.22586 208.7
[M+CH3COO]- 399.24151 211.5
[M+Na-2H]- 361.20233 192.6
[M]+ 340.22711 189.6
[M]- 340.22821 189.6
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.