CID 24212791

853331-06-3

Structural Information

Molecular Formula
C19H15BrN2O4
SMILES
C1=CC=C(C(=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br)[N+](=O)[O-]
InChI
InChI=1S/C19H15BrN2O4/c20-14-7-5-13(6-8-14)18-11-9-15(26-18)10-12-19(23)21-16-3-1-2-4-17(16)22(24)25/h1-9,11H,10,12H2,(H,21,23)
InChIKey
XMYFEYBIRGAHCN-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(2-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.0215 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.02878 194.1
[M+Na]+ 437.01072 201.5
[M-H]- 413.01422 206.4
[M+NH4]+ 432.05532 206.9
[M+K]+ 452.98466 186.8
[M+H-H2O]+ 397.01876 195.0
[M+HCOO]- 459.01970 216.3
[M+CH3COO]- 473.03535 214.3
[M+Na-2H]- 434.99617 198.6
[M]+ 414.02095 213.0
[M]- 414.02205 213.0
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.