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]+ 381.144476 191.4
[M+Na]+ 403.126418 195.3
[M-H]- 379.129924 201.7
[M+NH4]+ 398.171023 201.6
[M+K]+ 419.100358 188.6
[M+H-H2O]+ 363.134460 186.4
[M+HCOO]- 425.135401 216.0
[M+CH3COO]- 439.151051 214.2
[M+Na-2H]- 401.111866 195.1
[M]+ 380.13665142 193.3
[M]- 380.13774858 193.3
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.