CID 342619

Nsc379866

Structural Information

Molecular Formula
C20H11ClFN3O6
SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O
InChI
InChI=1S/C20H11ClFN3O6/c1-9-16(18(24-31-9)17-12(21)3-2-4-13(17)22)19(26)23-14-8-10-7-11(25(28)29)5-6-15(10)30-20(14)27/h2-8H,1H3,(H,23,26)
InChIKey
LJGCPQDGWLUHLN-UHFFFAOYSA-N
Compound name
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-nitro-2-oxochromen-3-yl)-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

443.03204 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.03932 202.3
[M+Na]+ 466.02126 212.4
[M-H]- 442.02476 213.3
[M+NH4]+ 461.06586 209.6
[M+K]+ 481.99520 204.9
[M+H-H2O]+ 426.02930 196.7
[M+HCOO]- 488.03024 220.1
[M+CH3COO]- 502.04589 224.9
[M+Na-2H]- 464.00671 207.0
[M]+ 443.03149 208.9
[M]- 443.03259 208.9
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.