CID 2837048

79324-93-9

Structural Information

Molecular Formula
C12H10N2O4
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O4/c1-8-4-5-9(10(7-8)14(16)17)13-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,13,15)
InChIKey
XKAAMUXWHOHBAT-UHFFFAOYSA-N
Compound name
N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

246.06406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 152.4
[M+Na]+ 269.05328 158.9
[M-H]- 245.05678 160.3
[M+NH4]+ 264.09788 168.7
[M+K]+ 285.02722 153.7
[M+H-H2O]+ 229.06132 149.9
[M+HCOO]- 291.06226 178.8
[M+CH3COO]- 305.07791 187.7
[M+Na-2H]- 267.03873 159.1
[M]+ 246.06351 152.2
[M]- 246.06461 152.2
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

patents stripe