CID 5465801

Nsc662453

Structural Information

Molecular Formula
C22H14BrNO4
SMILES
C1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)O)C(=O)NC4=CC=C(C=C4)Br
InChI
InChI=1S/C22H14BrNO4/c23-14-6-8-15(9-7-14)24-21(26)20-19(13-4-2-1-3-5-13)17-11-10-16(25)12-18(17)28-22(20)27/h1-12,25H,(H,24,26)
InChIKey
KIZWXLXXALRDDF-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-7-hydroxy-2-oxo-4-phenylchromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.01062 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.01790 195.5
[M+Na]+ 457.99984 205.6
[M-H]- 434.00334 207.7
[M+NH4]+ 453.04444 207.0
[M+K]+ 473.97378 194.6
[M+H-H2O]+ 418.00788 191.9
[M+HCOO]- 480.00882 213.6
[M+CH3COO]- 494.02447 207.0
[M+Na-2H]- 455.98529 200.6
[M]+ 435.01007 214.9
[M]- 435.01117 214.9
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.