CID 6851738

58648-09-2

Structural Information

Molecular Formula
C18H22NO
SMILES
C[C@H](C(=O)C1=CC=CC=C1)[N+](C)(C)CC2=CC=CC=C2
InChI
InChI=1S/C18H22NO/c1-15(18(20)17-12-8-5-9-13-17)19(2,3)14-16-10-6-4-7-11-16/h4-13,15H,14H2,1-3H3/q+1/t15-/m1/s1
InChIKey
NFOACWATQYMQGS-OAHLLOKOSA-N
Compound name
benzyl-dimethyl-[(2R)-1-oxo-1-phenylpropan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.17014 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17742 164.0
[M+Na]+ 291.15936 168.3
[M-H]- 267.16286 171.6
[M+NH4]+ 286.20396 180.1
[M+K]+ 307.13330 159.9
[M+H-H2O]+ 251.16740 158.9
[M+HCOO]- 313.16834 185.9
[M+CH3COO]- 327.18399 197.9
[M+Na-2H]- 289.14481 171.2
[M]+ 268.16959 163.0
[M]- 268.17069 163.0
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.