CID 25014621

Ahl modulator-1

Structural Information

Molecular Formula
C12H12BrNO3
SMILES
C1COC(=O)[C@H]1NC(=O)CC2=CC=CC=C2Br
InChI
InChI=1S/C12H12BrNO3/c13-9-4-2-1-3-8(9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
InChIKey
MMJSTOMMZPSKSQ-JTQLQIEISA-N
Compound name
2-(2-bromophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.00006 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.007336 161.0
[M+Na]+ 319.989278 170.4
[M-H]- 295.992784 170.5
[M+NH4]+ 315.033883 179.8
[M+K]+ 335.963218 160.6
[M+H-H2O]+ 279.997320 160.1
[M+HCOO]- 341.998261 181.4
[M+CH3COO]- 356.013911 197.9
[M+Na-2H]- 317.974726 165.0
[M]+ 296.99951142 178.7
[M]- 297.00060858 178.7
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.