CID 46769

64048-36-8

Structural Information

Molecular Formula
C18H22NO2
SMILES
CC[N+](C)(CC)C1=CC=CC(=C1)C(=O)OC2=CC=CC=C2
InChI
InChI=1S/C18H22NO2/c1-4-19(3,5-2)16-11-9-10-15(14-16)18(20)21-17-12-7-6-8-13-17/h6-14H,4-5H2,1-3H3/q+1
InChIKey
CKIZCPMNDGCBCC-UHFFFAOYSA-N
Compound name
diethyl-methyl-(3-phenoxycarbonylphenyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.16504 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17232 166.4
[M+Na]+ 307.15426 181.9
[M+NH4]+ 302.19886 175.9
[M+K]+ 323.12820 174.7
[M-H]- 283.15776 173.1
[M+Na-2H]- 305.13971 177.0
[M]+ 284.16449 171.1
[M]- 284.16559 171.1
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.