CID 45051360

853351-21-0

Structural Information

Molecular Formula
C20H16N2O4
SMILES
CC1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O4/c1-14-4-2-6-16(12-14)21-20(23)11-9-18-8-10-19(26-18)15-5-3-7-17(13-15)22(24)25/h2-13H,1H3,(H,21,23)/b11-9+
InChIKey
VEHXHXFLQIERPJ-PKNBQFBNSA-N
Compound name
(E)-N-(3-methylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.111 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11828 182.0
[M+Na]+ 371.10022 195.9
[M+NH4]+ 366.14482 188.8
[M+K]+ 387.07416 193.1
[M-H]- 347.10372 190.2
[M+Na-2H]- 369.08567 190.1
[M]+ 348.11045 186.2
[M]- 348.11155 186.2
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.