CID 24208996

853329-71-2

Structural Information

Molecular Formula
C20H18N2O5
SMILES
COC1=CC=CC(=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N2O5/c1-26-18-7-3-5-15(13-18)21-20(23)11-9-17-8-10-19(27-17)14-4-2-6-16(12-14)22(24)25/h2-8,10,12-13H,9,11H2,1H3,(H,21,23)
InChIKey
XZYDMEIXLMRKNX-UHFFFAOYSA-N
Compound name
N-(3-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 185.8
[M+Na]+ 389.11080 199.1
[M+NH4]+ 384.15540 192.2
[M+K]+ 405.08474 196.9
[M-H]- 365.11430 193.7
[M+Na-2H]- 387.09625 193.4
[M]+ 366.12103 189.7
[M]- 366.12213 189.7
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.