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]+ 337.11828 178.8
[M+Na]+ 359.10022 183.0
[M-H]- 335.10372 189.1
[M+NH4]+ 354.14482 190.7
[M+K]+ 375.07416 176.0
[M+H-H2O]+ 319.10826 174.2
[M+HCOO]- 381.10920 204.0
[M+CH3COO]- 395.12485 205.0
[M+Na-2H]- 357.08567 184.0
[M]+ 336.11045 178.4
[M]- 336.11155 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.