CID 3075543

185759-06-2

Structural Information

Molecular Formula
C19H20BrNO4
SMILES
C1COC(CN1CCOC(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H20BrNO4/c20-16-8-6-15(7-9-16)18-14-21(10-12-23-18)11-13-24-19(22)25-17-4-2-1-3-5-17/h1-9,18H,10-14H2
InChIKey
FZGNKEHKLLXJJX-UHFFFAOYSA-N
Compound name
2-[2-(4-bromophenyl)morpholin-4-yl]ethyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.05756 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.06484 188.0
[M+Na]+ 428.04678 194.6
[M-H]- 404.05028 197.9
[M+NH4]+ 423.09138 199.2
[M+K]+ 444.02072 185.2
[M+H-H2O]+ 388.05482 184.6
[M+HCOO]- 450.05576 203.1
[M+CH3COO]- 464.07141 214.1
[M+Na-2H]- 426.03223 191.6
[M]+ 405.05701 206.4
[M]- 405.05811 206.4
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.