CID 24208987

853329-15-4

Structural Information

Molecular Formula
C19H16N2O4
SMILES
C1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H16N2O4/c22-19(20-15-6-2-1-3-7-15)12-10-17-9-11-18(25-17)14-5-4-8-16(13-14)21(23)24/h1-9,11,13H,10,12H2,(H,20,22)
InChIKey
MPAKGCHGSXROIT-UHFFFAOYSA-N
Compound name
3-[5-(3-nitrophenyl)furan-2-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.111 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.118276 178.8
[M+Na]+ 359.100218 183.0
[M-H]- 335.103724 189.1
[M+NH4]+ 354.144823 190.7
[M+K]+ 375.074158 176.0
[M+H-H2O]+ 319.108260 174.2
[M+HCOO]- 381.109201 204.0
[M+CH3COO]- 395.124851 205.0
[M+Na-2H]- 357.085666 184.0
[M]+ 336.11045142 178.4
[M]- 336.11154858 178.4
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.