CID 2847976

Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(4-morpholinyl)propyl ester, hydrochloride

Structural Information

Molecular Formula
C21H23Br2NO4
SMILES
C1COCCN1CCCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O
InChI
InChI=1S/C21H23Br2NO4/c22-18-6-2-16(3-7-18)21(26,17-4-8-19(23)9-5-17)20(25)28-13-1-10-24-11-14-27-15-12-24/h2-9,26H,1,10-15H2
InChIKey
HIFXZWYEBQXWHR-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylpropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.9994 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.00668 190.8
[M+Na]+ 533.98862 185.1
[M+NH4]+ 529.03322 191.2
[M+K]+ 549.96256 191.1
[M-H]- 509.99212 192.9
[M+Na-2H]- 531.97407 191.4
[M]+ 510.99885 189.5
[M]- 510.99995 189.5
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.