CID 24208998

853329-80-3

Structural Information

Molecular Formula
C21H20N2O5
SMILES
CCOC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H20N2O5/c1-2-27-18-8-6-16(7-9-18)22-21(24)13-11-19-10-12-20(28-19)15-4-3-5-17(14-15)23(25)26/h3-10,12,14H,2,11,13H2,1H3,(H,22,24)
InChIKey
LBTDUVVLORUOAL-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14448 191.4
[M+Na]+ 403.12642 195.3
[M-H]- 379.12992 201.7
[M+NH4]+ 398.17102 201.6
[M+K]+ 419.10036 188.6
[M+H-H2O]+ 363.13446 186.4
[M+HCOO]- 425.13540 216.0
[M+CH3COO]- 439.15105 214.2
[M+Na-2H]- 401.11187 195.1
[M]+ 380.13665 193.3
[M]- 380.13775 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.