CID 164615293

Chembl4861307

Structural Information

Molecular Formula
C18H13FN2O6
SMILES
CC1=C2C(=CC(=C1O)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C18H13FN2O6/c1-9-15(22)14(21(25)26)7-11-6-13(18(24)27-16(9)11)17(23)20-8-10-2-4-12(19)5-3-10/h2-7,22H,8H2,1H3,(H,20,23)
InChIKey
OACBJSFXZRAMQS-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-7-hydroxy-8-methyl-6-nitro-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.07578 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08306 181.5
[M+Na]+ 395.06500 189.3
[M-H]- 371.06850 188.1
[M+NH4]+ 390.10960 191.4
[M+K]+ 411.03894 182.3
[M+H-H2O]+ 355.07304 176.3
[M+HCOO]- 417.07398 202.4
[M+CH3COO]- 431.08963 213.0
[M+Na-2H]- 393.05045 187.1
[M]+ 372.07523 182.3
[M]- 372.07633 182.3
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.