CID 710796

N-(2-furylmethyl)-4-nitrobenzamide

Structural Information

Molecular Formula
C12H10N2O4
SMILES
C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O4/c15-12(13-8-11-2-1-7-18-11)9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15)
InChIKey
JPHKHMWMYZLRQR-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

246.06406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 152.5
[M+Na]+ 269.05328 158.1
[M-H]- 245.05678 160.1
[M+NH4]+ 264.09788 168.5
[M+K]+ 285.02722 152.9
[M+H-H2O]+ 229.06132 149.8
[M+HCOO]- 291.06226 179.0
[M+CH3COO]- 305.07791 186.6
[M+Na-2H]- 267.03873 159.8
[M]+ 246.06351 151.9
[M]- 246.06461 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.