CID 56783

Brn 2706738

Structural Information

Molecular Formula
C20H24BrNO3
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCCBr
InChI
InChI=1S/C20H24BrNO3/c1-22(2)14-16-24-19(23)20(25-15-13-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKey
HJPYVTSQYVYWJP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(2-bromoethoxy)-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.09396 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.10124 191.4
[M+Na]+ 428.08318 197.5
[M-H]- 404.08668 200.2
[M+NH4]+ 423.12778 205.5
[M+K]+ 444.05712 187.1
[M+H-H2O]+ 388.09122 188.3
[M+HCOO]- 450.09216 210.6
[M+CH3COO]- 464.10781 221.6
[M+Na-2H]- 426.06863 195.9
[M]+ 405.09341 213.5
[M]- 405.09451 213.5
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.