CID 364218

Nsc630069

Structural Information

Molecular Formula
C22H14BrN3O3
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)Br)OC2=O
InChI
InChI=1S/C22H14BrN3O3/c23-15-6-8-17(9-7-15)25-26-18-10-11-20-14(12-18)13-19(22(28)29-20)21(27)24-16-4-2-1-3-5-16/h1-13H,(H,24,27)
InChIKey
ZFKIKKGQORHJSC-UHFFFAOYSA-N
Compound name
6-[(4-bromophenyl)diazenyl]-2-oxo-N-phenylchromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.02185 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.02913 197.1
[M+Na]+ 470.01107 206.4
[M-H]- 446.01457 212.3
[M+NH4]+ 465.05567 209.1
[M+K]+ 485.98501 195.9
[M+H-H2O]+ 430.01911 191.6
[M+HCOO]- 492.02005 221.2
[M+CH3COO]- 506.03570 209.1
[M+Na-2H]- 467.99652 205.0
[M]+ 447.02130 217.7
[M]- 447.02240 217.7
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.