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]+ 395.16014 196.2
[M+Na]+ 417.14208 199.6
[M-H]- 393.14558 206.3
[M+NH4]+ 412.18668 205.8
[M+K]+ 433.11602 192.7
[M+H-H2O]+ 377.15012 190.9
[M+HCOO]- 439.15106 220.4
[M+CH3COO]- 453.16671 217.2
[M+Na-2H]- 415.12753 199.3
[M]+ 394.15231 198.4
[M]- 394.15341 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.