CID 2788322

N-(4-methoxy-2-nitrophenyl)-2-oxo-2h-chromene-3-carboxamide

Structural Information

Molecular Formula
C17H12N2O6
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O)[N+](=O)[O-]
InChI
InChI=1S/C17H12N2O6/c1-24-11-6-7-13(14(9-11)19(22)23)18-16(20)12-8-10-4-2-3-5-15(10)25-17(12)21/h2-9H,1H3,(H,18,20)
InChIKey
KPDIEFZUCNBLQI-UHFFFAOYSA-N
Compound name
N-(4-methoxy-2-nitrophenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.06955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07683 173.5
[M+Na]+ 363.05877 180.4
[M-H]- 339.06227 182.3
[M+NH4]+ 358.10337 184.9
[M+K]+ 379.03271 174.7
[M+H-H2O]+ 323.06681 168.8
[M+HCOO]- 385.06775 197.4
[M+CH3COO]- 399.08340 207.1
[M+Na-2H]- 361.04422 181.9
[M]+ 340.06900 175.9
[M]- 340.07010 175.9
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.