CID 24209003

853330-01-5

Structural Information

Molecular Formula
C20H18N2O4
SMILES
C1=CC=C(C=C1)CNC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N2O4/c23-20(21-14-15-5-2-1-3-6-15)12-10-18-9-11-19(26-18)16-7-4-8-17(13-16)22(24)25/h1-9,11,13H,10,12,14H2,(H,21,23)
InChIKey
APUSYDZJTSXBRZ-UHFFFAOYSA-N
Compound name
N-benzyl-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 182.8
[M+Na]+ 373.11587 196.3
[M+NH4]+ 368.16047 189.8
[M+K]+ 389.08981 193.4
[M-H]- 349.11937 191.2
[M+Na-2H]- 371.10132 191.2
[M]+ 350.12610 187.0
[M]- 350.12720 187.0
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.