CID 2830882

2-(diethylamino)ethyl 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxybenzeneacetate hydrochloride

Structural Information

Molecular Formula
C20H23Br2NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C20H23Br2NO3/c1-3-23(4-2)13-14-26-19(24)20(25,15-5-9-17(21)10-6-15)16-7-11-18(22)12-8-16/h5-12,25H,3-4,13-14H2,1-2H3
InChIKey
XLHQHKLJQYHCBW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.00446 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.01174 191.4
[M+Na]+ 505.99368 197.6
[M-H]- 481.99718 199.2
[M+NH4]+ 501.03828 203.6
[M+K]+ 521.96762 182.3
[M+H-H2O]+ 466.00172 196.6
[M+HCOO]- 528.00266 204.0
[M+CH3COO]- 542.01831 231.8
[M+Na-2H]- 503.97913 193.7
[M]+ 483.00391 227.0
[M]- 483.00501 227.0
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.