CID 3042363

Brn 1663073

Structural Information

Molecular Formula
C18H14N2O5
SMILES
COC(=O)C1=CC=CC=C1NC(=O)NC2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C18H14N2O5/c1-24-17(22)11-6-2-4-8-13(11)19-18(23)20-16-10-14(21)12-7-3-5-9-15(12)25-16/h2-10H,1H3,(H2,19,20,23)
InChIKey
LLNUUWSOIRQJEE-UHFFFAOYSA-N
Compound name
methyl 2-[(4-oxochromen-2-yl)carbamoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09027 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09755 175.6
[M+Na]+ 361.07949 182.7
[M-H]- 337.08299 184.3
[M+NH4]+ 356.12409 187.7
[M+K]+ 377.05343 181.0
[M+H-H2O]+ 321.08753 166.4
[M+HCOO]- 383.08847 198.9
[M+CH3COO]- 397.10412 214.0
[M+Na-2H]- 359.06494 181.9
[M]+ 338.08972 178.7
[M]- 338.09082 178.7
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.