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 177.3
[M+Na]+ 336.21722 179.1
[M-H]- 312.22072 184.3
[M+NH4]+ 331.26182 191.1
[M+K]+ 352.19116 171.4
[M+H-H2O]+ 296.22526 171.4
[M+HCOO]- 358.22620 198.2
[M+CH3COO]- 372.24185 210.4
[M+Na-2H]- 334.20267 182.8
[M]+ 313.22745 176.2
[M]- 313.22855 176.2
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.