CID 3064866

105916-34-5

Structural Information

Molecular Formula
C20H29N2O
SMILES
CC(C)[N+](C)(C)CC(CN(C1=CC=CC=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C20H29N2O/c1-17(2)22(3,4)16-20(23)15-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20,23H,15-16H2,1-4H3/q+1
InChIKey
WINYVYONELSCST-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(N-phenylanilino)propyl]-dimethyl-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

313.228 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.23528 176.9
[M+Na]+ 336.21722 190.0
[M+NH4]+ 331.26182 186.2
[M+K]+ 352.19116 183.8
[M-H]- 312.22072 184.0
[M+Na-2H]- 334.20267 186.7
[M]+ 313.22745 181.3
[M]- 313.22855 181.3
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.