CID 24212799

853331-26-7

Structural Information

Molecular Formula
C16H16BrNO4
SMILES
COC(=O)CNC(=O)CCC1=CC=C(O1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C16H16BrNO4/c1-21-16(20)10-18-15(19)9-7-13-6-8-14(22-13)11-2-4-12(17)5-3-11/h2-6,8H,7,9-10H2,1H3,(H,18,19)
InChIKey
OEOJWBBXFNENGS-UHFFFAOYSA-N
Compound name
methyl 2-[3-[5-(4-bromophenyl)furan-2-yl]propanoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.02628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.03356 178.0
[M+Na]+ 388.01550 179.3
[M+NH4]+ 383.06010 180.6
[M+K]+ 403.98944 181.5
[M-H]- 364.01900 179.8
[M+Na-2H]- 386.00095 179.5
[M]+ 365.02573 177.3
[M]- 365.02683 177.3
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.