CID 45392

2-(p-iododiphenylmethoxy)-n,n-dimethylethylamine hydrochloride

Structural Information

Molecular Formula
C17H20INO
SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)I
InChI
InChI=1S/C17H20INO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
InChIKey
MNDVTSNGLYMDGG-UHFFFAOYSA-N
Compound name
2-[(4-iodophenyl)-phenylmethoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.05896 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.06624 178.0
[M+Na]+ 404.04818 175.7
[M-H]- 380.05168 177.7
[M+NH4]+ 399.09278 189.1
[M+K]+ 420.02212 179.0
[M+H-H2O]+ 364.05622 165.6
[M+HCOO]- 426.05716 196.3
[M+CH3COO]- 440.07281 213.1
[M+Na-2H]- 402.03363 169.2
[M]+ 381.05841 176.9
[M]- 381.05951 176.9
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.