CID 364222

Nsc630073

Structural Information

Molecular Formula
C23H16BrN3O4
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)Br)OC2=O
InChI
InChI=1S/C23H16BrN3O4/c1-30-19-9-6-16(7-10-19)25-22(28)20-13-14-12-18(8-11-21(14)31-23(20)29)27-26-17-4-2-15(24)3-5-17/h2-13H,1H3,(H,25,28)
InChIKey
VJNNOVIMUOHHNB-UHFFFAOYSA-N
Compound name
6-[(4-bromophenyl)diazenyl]-N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.0324 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.03968 204.5
[M+Na]+ 500.02162 213.8
[M-H]- 476.02512 219.8
[M+NH4]+ 495.06622 215.4
[M+K]+ 515.99556 204.0
[M+H-H2O]+ 460.02966 198.5
[M+HCOO]- 522.03060 228.3
[M+CH3COO]- 536.04625 240.8
[M+Na-2H]- 498.00707 211.3
[M]+ 477.03185 226.9
[M]- 477.03295 226.9
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.