CID 3041758

Brn 1659122

Structural Information

Molecular Formula
C18H13NO5
SMILES
CC(=O)OC1=CC=CC=C1C(=O)NC2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C18H13NO5/c1-11(20)23-16-9-5-3-7-13(16)18(22)19-17-10-14(21)12-6-2-4-8-15(12)24-17/h2-10H,1H3,(H,19,22)
InChIKey
JCLDHMIJGWZCCU-UHFFFAOYSA-N
Compound name
[2-[(4-oxochromen-2-yl)carbamoyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08666 171.3
[M+Na]+ 346.06860 179.3
[M-H]- 322.07210 180.1
[M+NH4]+ 341.11320 184.5
[M+K]+ 362.04254 177.5
[M+H-H2O]+ 306.07664 162.6
[M+HCOO]- 368.07758 193.7
[M+CH3COO]- 382.09323 209.3
[M+Na-2H]- 344.05405 177.2
[M]+ 323.07883 175.2
[M]- 323.07993 175.2
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.