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 187.7
[M+Na]+ 415.09917 195.4
[M-H]- 391.10267 196.6
[M+NH4]+ 410.14377 202.6
[M+K]+ 431.07311 183.7
[M+H-H2O]+ 375.10721 183.7
[M+HCOO]- 437.10815 209.5
[M+CH3COO]- 451.12380 224.6
[M+Na-2H]- 413.08462 190.3
[M]+ 392.10940 209.2
[M]- 392.11050 209.2
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

patents stripe