CID 3024523

P-phenetidine, 3-bromo-beta-(diethylamino)-5-methoxy-, hydrochloride

Structural Information

Molecular Formula
C13H21BrN2O2
SMILES
CCN(CC)CCOC1=C(C=C(C=C1Br)N)OC
InChI
InChI=1S/C13H21BrN2O2/c1-4-16(5-2)6-7-18-13-11(14)8-10(15)9-12(13)17-3/h8-9H,4-7,15H2,1-3H3
InChIKey
XCKKGVCQHHFKOB-UHFFFAOYSA-N
Compound name
3-bromo-4-[2-(diethylamino)ethoxy]-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08592 166.5
[M+Na]+ 339.06786 167.9
[M+NH4]+ 334.11246 170.2
[M+K]+ 355.04180 167.8
[M-H]- 315.07136 167.7
[M+Na-2H]- 337.05331 168.2
[M]+ 316.07809 165.7
[M]- 316.07919 165.7
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