CID 24209009

853330-25-3

Structural Information

Molecular Formula
C20H18N2O5
SMILES
COC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N2O5/c1-26-17-7-5-15(6-8-17)21-20(23)12-10-18-9-11-19(27-18)14-3-2-4-16(13-14)22(24)25/h2-9,11,13H,10,12H2,1H3,(H,21,23)
InChIKey
AARGKZIFXVSCBY-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12158 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 186.6
[M+Na]+ 389.11080 191.0
[M-H]- 365.11430 197.1
[M+NH4]+ 384.15540 197.4
[M+K]+ 405.08474 184.5
[M+H-H2O]+ 349.11884 181.8
[M+HCOO]- 411.11978 211.6
[M+CH3COO]- 425.13543 211.2
[M+Na-2H]- 387.09625 190.8
[M]+ 366.12103 188.3
[M]- 366.12213 188.3
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.