CID 24208995

853329-67-6

Structural Information

Molecular Formula
C19H15FN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)CCC(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C19H15FN2O4/c20-14-4-6-15(7-5-14)21-19(23)11-9-17-8-10-18(26-17)13-2-1-3-16(12-13)22(24)25/h1-8,10,12H,9,11H2,(H,21,23)
InChIKey
INNBZMKLCUUDIQ-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1016 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.108876 181.6
[M+Na]+ 377.090818 186.8
[M-H]- 353.094324 190.9
[M+NH4]+ 372.135423 193.0
[M+K]+ 393.064758 179.3
[M+H-H2O]+ 337.098860 176.3
[M+HCOO]- 399.099801 205.8
[M+CH3COO]- 413.115451 208.8
[M+Na-2H]- 375.076266 185.6
[M]+ 354.10105142 180.7
[M]- 354.10214858 180.7
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.