CID 13103181

Carbonic acid, (p-bromo-alpha-(2-(dimethylamino)ethyl)benzyl) phenyl ester, hydrochloride

Structural Information

Molecular Formula
C18H20BrNO3
SMILES
CN(C)CCC(C1=CC=C(C=C1)Br)OC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C18H20BrNO3/c1-20(2)13-12-17(14-8-10-15(19)11-9-14)23-18(21)22-16-6-4-3-5-7-16/h3-11,17H,12-13H2,1-2H3
InChIKey
AQSFUIPYXKZIMJ-UHFFFAOYSA-N
Compound name
[1-(4-bromophenyl)-3-(dimethylamino)propyl] phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.06265 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.06993 182.1
[M+Na]+ 400.05187 189.3
[M-H]- 376.05537 191.5
[M+NH4]+ 395.09647 197.6
[M+K]+ 416.02581 179.5
[M+H-H2O]+ 360.05991 179.1
[M+HCOO]- 422.06085 202.6
[M+CH3COO]- 436.07650 217.0
[M+Na-2H]- 398.03732 185.1
[M]+ 377.06210 203.8
[M]- 377.06320 203.8
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.