CID 24209004

853330-04-8

Structural Information

Molecular Formula
C21H20N2O5
SMILES
COC1=CC=C(C=C1)CNC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H20N2O5/c1-27-18-7-5-15(6-8-18)14-22-21(24)12-10-19-9-11-20(28-19)16-3-2-4-17(13-16)23(25)26/h2-9,11,13H,10,12,14H2,1H3,(H,22,24)
InChIKey
GLAPSETWAVIWSW-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1372 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14448 190.3
[M+Na]+ 403.12642 203.4
[M+NH4]+ 398.17102 196.6
[M+K]+ 419.10036 201.0
[M-H]- 379.12992 198.2
[M+Na-2H]- 401.11187 197.7
[M]+ 380.13665 194.2
[M]- 380.13775 194.2
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.