CID 378944

Nsc662452

Structural Information

Molecular Formula
C23H16ClN3O4
SMILES
COC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H16ClN3O4/c1-30-19-9-6-17(7-10-19)26-27-18-8-11-21-14(12-18)13-20(23(29)31-21)22(28)25-16-4-2-15(24)3-5-16/h2-13H,1H3,(H,25,28)
InChIKey
VEKUUVRAVGECSD-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-6-[(4-methoxyphenyl)diazenyl]-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.08295 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.09023 203.7
[M+Na]+ 456.07217 212.7
[M-H]- 432.07567 217.8
[M+NH4]+ 451.11677 213.8
[M+K]+ 472.04611 208.8
[M+H-H2O]+ 416.08021 192.6
[M+HCOO]- 478.08115 226.4
[M+CH3COO]- 492.09680 214.5
[M+Na-2H]- 454.05762 209.9
[M]+ 433.08240 211.3
[M]- 433.08350 211.3
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.