CID 3064411

P-phenetidine, 3-benzyloxy-5-bromo-beta-(diethylamino)-, dihydrochloride

Structural Information

Molecular Formula
C19H25BrN2O2
SMILES
CCN(CC)CCOC1=C(C=C(C=C1Br)N)OCC2=CC=CC=C2
InChI
InChI=1S/C19H25BrN2O2/c1-3-22(4-2)10-11-23-19-17(20)12-16(21)13-18(19)24-14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14,21H2,1-2H3
InChIKey
VFNXIZZCTOSWRF-UHFFFAOYSA-N
Compound name
3-bromo-4-[2-(diethylamino)ethoxy]-5-phenylmethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.10995 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11723 186.5
[M+Na]+ 415.09917 189.3
[M+NH4]+ 410.14377 190.4
[M+K]+ 431.07311 187.5
[M-H]- 391.10267 190.0
[M+Na-2H]- 413.08462 190.4
[M]+ 392.10940 186.7
[M]- 392.11050 186.7
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

patents stripe