CID 24209005

853330-10-6

Structural Information

Molecular Formula
C22H22N2O5
SMILES
COC1=CC=C(C=C1)CCNC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H22N2O5/c1-28-19-7-5-16(6-8-19)13-14-23-22(25)12-10-20-9-11-21(29-20)17-3-2-4-18(15-17)24(26)27/h2-9,11,15H,10,12-14H2,1H3,(H,23,25)
InChIKey
YOODHIFLPGHLHF-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)ethyl]-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.15286 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.160136 196.2
[M+Na]+ 417.142078 199.6
[M-H]- 393.145584 206.3
[M+NH4]+ 412.186683 205.8
[M+K]+ 433.116018 192.7
[M+H-H2O]+ 377.150120 190.9
[M+HCOO]- 439.151061 220.4
[M+CH3COO]- 453.166711 217.2
[M+Na-2H]- 415.127526 199.3
[M]+ 394.15231142 198.4
[M]- 394.15340858 198.4
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.