CID 46784

64048-45-9

Structural Information

Molecular Formula
C21H28NO2
SMILES
CC[N+](C)(CC)CCOC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H28NO2/c1-4-22(3,5-2)15-16-24-21(23)17-18-11-13-20(14-12-18)19-9-7-6-8-10-19/h6-14H,4-5,15-17H2,1-3H3/q+1
InChIKey
ODJVBABXGSEVDN-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-(4-phenylphenyl)acetyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.212 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21928 182.3
[M+Na]+ 349.20122 186.5
[M-H]- 325.20472 189.6
[M+NH4]+ 344.24582 196.4
[M+K]+ 365.17516 177.5
[M+H-H2O]+ 309.20926 176.4
[M+HCOO]- 371.21020 204.3
[M+CH3COO]- 385.22585 208.5
[M+Na-2H]- 347.18667 188.4
[M]+ 326.21145 184.6
[M]- 326.21255 184.6
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.