CID 3011950

N-isoindolin-1-yl-5-nitro-furan-2-carboxamide

Structural Information

Molecular Formula
C13H11N3O4
SMILES
C1C2=CC=CC=C2C(N1)NC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O4/c17-13(10-5-6-11(20-10)16(18)19)15-12-9-4-2-1-3-8(9)7-14-12/h1-6,12,14H,7H2,(H,15,17)
InChIKey
QSFYSPAJMQSNER-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.07495 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08223 156.9
[M+Na]+ 296.06417 162.2
[M-H]- 272.06767 163.1
[M+NH4]+ 291.10877 172.5
[M+K]+ 312.03811 156.0
[M+H-H2O]+ 256.07221 154.6
[M+HCOO]- 318.07315 179.3
[M+CH3COO]- 332.08880 189.2
[M+Na-2H]- 294.04962 162.9
[M]+ 273.07440 154.0
[M]- 273.07550 154.0
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.