CID 724221

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

Structural Information

Molecular Formula
C17H12N2O5
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O)[N+](=O)[O-]
InChI
InChI=1S/C17H12N2O5/c1-10-6-7-12(9-14(10)19(22)23)18-16(20)13-8-11-4-2-3-5-15(11)24-17(13)21/h2-9H,1H3,(H,18,20)
InChIKey
DNAQWVCDMRLUOD-UHFFFAOYSA-N
Compound name
N-(4-methyl-3-nitrophenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.07462 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.081896 170.7
[M+Na]+ 347.063838 178.0
[M-H]- 323.067344 179.6
[M+NH4]+ 342.108443 183.0
[M+K]+ 363.037778 171.5
[M+H-H2O]+ 307.071880 166.4
[M+HCOO]- 369.072821 194.5
[M+CH3COO]- 383.088471 204.9
[M+Na-2H]- 345.049286 178.9
[M]+ 324.07407142 171.8
[M]- 324.07516858 171.8
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.