CID 54688617

6-bromo-4-hydroxy-3-((m-hydroxyphenyl)carbamoyl)coumarin

Structural Information

Molecular Formula
C16H10BrNO5
SMILES
C1=CC(=CC(=C1)O)NC(=O)C2=C(C3=C(C=CC(=C3)Br)OC2=O)O
InChI
InChI=1S/C16H10BrNO5/c17-8-4-5-12-11(6-8)14(20)13(16(22)23-12)15(21)18-9-2-1-3-10(19)7-9/h1-7,19-20H,(H,18,21)
InChIKey
CBMLSJNAXKOCTP-UHFFFAOYSA-N
Compound name
6-bromo-4-hydroxy-N-(3-hydroxyphenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.97424 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.98152 174.6
[M+Na]+ 397.96346 185.9
[M-H]- 373.96696 183.4
[M+NH4]+ 393.00806 188.5
[M+K]+ 413.93740 175.2
[M+H-H2O]+ 357.97150 172.4
[M+HCOO]- 419.97244 192.5
[M+CH3COO]- 433.98809 210.5
[M+Na-2H]- 395.94891 180.7
[M]+ 374.97369 194.6
[M]- 374.97479 194.6
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.