CID 3060425

78110-07-3

Structural Information

Molecular Formula
C20H25Br2NO
SMILES
CCN(CC)CC(C)C(C1=CC(=CC=C1)Br)(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C20H25Br2NO/c1-4-23(5-2)14-15(3)20(24,16-8-6-10-18(21)12-16)17-9-7-11-19(22)13-17/h6-13,15,24H,4-5,14H2,1-3H3
InChIKey
ZXXSKFKWCFFPSW-UHFFFAOYSA-N
Compound name
1,1-bis(3-bromophenyl)-3-(diethylamino)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.0303 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.03758 189.0
[M+Na]+ 476.01952 195.4
[M-H]- 452.02302 196.8
[M+NH4]+ 471.06412 202.4
[M+K]+ 491.99346 179.5
[M+H-H2O]+ 436.02756 194.7
[M+HCOO]- 498.02850 201.2
[M+CH3COO]- 512.04415 229.8
[M+Na-2H]- 474.00497 191.1
[M]+ 453.02975 223.1
[M]- 453.03085 223.1
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.