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]+ 324.086656 171.3
[M+Na]+ 346.068598 179.3
[M-H]- 322.072104 180.1
[M+NH4]+ 341.113203 184.5
[M+K]+ 362.042538 177.5
[M+H-H2O]+ 306.076640 162.6
[M+HCOO]- 368.077581 193.7
[M+CH3COO]- 382.093231 209.3
[M+Na-2H]- 344.054046 177.2
[M]+ 323.07883142 175.2
[M]- 323.07992858 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.