CID 767906

5-nitro-n-methyl-n-phenyl-2-furamide

Structural Information

Molecular Formula
C12H10N2O4
SMILES
CN(C1=CC=CC=C1)C(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O4/c1-13(9-5-3-2-4-6-9)12(15)10-7-8-11(18-10)14(16)17/h2-8H,1H3
InChIKey
ZSCZOPFLXZFDQA-UHFFFAOYSA-N
Compound name
N-methyl-5-nitro-N-phenylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
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 152.9
[M+Na]+ 269.05328 158.7
[M-H]- 245.05678 162.0
[M+NH4]+ 264.09788 169.5
[M+K]+ 285.02722 155.0
[M+H-H2O]+ 229.06132 150.1
[M+HCOO]- 291.06226 179.9
[M+CH3COO]- 305.07791 190.1
[M+Na-2H]- 267.03873 159.4
[M]+ 246.06351 153.6
[M]- 246.06461 153.6
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