CID 364220

Nsc630071

Structural Information

Molecular Formula
C22H13BrClN3O3
SMILES
C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)Br)OC2=O)Cl
InChI
InChI=1S/C22H13BrClN3O3/c23-14-5-7-15(8-6-14)26-27-16-9-10-20-13(11-16)12-17(22(29)30-20)21(28)25-19-4-2-1-3-18(19)24/h1-12H,(H,25,28)
InChIKey
UEGTTWMNNFLPNO-UHFFFAOYSA-N
Compound name
6-[(4-bromophenyl)diazenyl]-N-(2-chlorophenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.98288 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.99016 204.6
[M+Na]+ 503.97210 215.8
[M-H]- 479.97560 220.0
[M+NH4]+ 499.01670 216.6
[M+K]+ 519.94604 203.9
[M+H-H2O]+ 463.98014 199.8
[M+HCOO]- 525.98108 224.4
[M+CH3COO]- 539.99673 216.6
[M+Na-2H]- 501.95755 211.4
[M]+ 480.98233 228.1
[M]- 480.98343 228.1
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.