CID 24208992

853329-46-1

Structural Information

Molecular Formula
C19H15FN2O4
SMILES
C1=CC=C(C(=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])F
InChI
InChI=1S/C19H15FN2O4/c20-16-6-1-2-7-17(16)21-19(23)11-9-15-8-10-18(26-15)13-4-3-5-14(12-13)22(24)25/h1-8,10,12H,9,11H2,(H,21,23)
InChIKey
KVYADRLFEWEPSQ-UHFFFAOYSA-N
Compound name
N-(2-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]+ 355.10888 181.6
[M+Na]+ 377.09082 186.8
[M-H]- 353.09432 190.9
[M+NH4]+ 372.13542 193.0
[M+K]+ 393.06476 179.3
[M+H-H2O]+ 337.09886 176.3
[M+HCOO]- 399.09980 205.8
[M+CH3COO]- 413.11545 208.8
[M+Na-2H]- 375.07627 185.6
[M]+ 354.10105 180.7
[M]- 354.10215 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.