CID 45051311

853329-63-2

Structural Information

Molecular Formula
C19H15N3O6
SMILES
C1=CC=C(C(=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H15N3O6/c23-19(20-16-6-1-2-7-17(16)22(26)27)11-9-15-8-10-18(28-15)13-4-3-5-14(12-13)21(24)25/h1-8,10,12H,9,11H2,(H,20,23)
InChIKey
XXLOQURNQQLOFV-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.0961 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10338 190.4
[M+Na]+ 404.08532 203.3
[M+NH4]+ 399.12992 196.0
[M+K]+ 420.05926 204.1
[M-H]- 380.08882 198.9
[M+Na-2H]- 402.07077 197.0
[M]+ 381.09555 194.3
[M]- 381.09665 194.3
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.