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]+ 355.10888 180.3
[M+Na]+ 377.09082 193.3
[M+NH4]+ 372.13542 186.7
[M+K]+ 393.06476 190.9
[M-H]- 353.09432 187.1
[M+Na-2H]- 375.07627 187.9
[M]+ 354.10105 183.8
[M]- 354.10215 183.8
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.