CID 3057305

3-(2-phenethylamino)-1-(4-(2-methoxyethyl)-2-bromophenoxy)-propanol-2 tartrate

Structural Information

Molecular Formula
C20H26BrNO3
SMILES
COCCC1=CC(=C(C=C1)OCC(CNCCC2=CC=CC=C2)O)Br
InChI
InChI=1S/C20H26BrNO3/c1-24-12-10-17-7-8-20(19(21)13-17)25-15-18(23)14-22-11-9-16-5-3-2-4-6-16/h2-8,13,18,22-23H,9-12,14-15H2,1H3
InChIKey
WLIYKIFCHRSZIJ-UHFFFAOYSA-N
Compound name
1-[2-bromo-4-(2-methoxyethyl)phenoxy]-3-(2-phenylethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.10962 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11690 191.4
[M+Na]+ 430.09884 197.7
[M-H]- 406.10234 197.7
[M+NH4]+ 425.14344 204.6
[M+K]+ 446.07278 185.3
[M+H-H2O]+ 390.10688 188.1
[M+HCOO]- 452.10782 209.9
[M+CH3COO]- 466.12347 219.4
[M+Na-2H]- 428.08429 194.0
[M]+ 407.10907 212.4
[M]- 407.11017 212.4
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.