CID 370464

Nsc643595

Structural Information

Molecular Formula
C23H16ClN3O3
SMILES
CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4Cl)OC2=O
InChI
InChI=1S/C23H16ClN3O3/c1-14-5-4-6-16(11-14)25-22(28)18-13-15-12-17(9-10-21(15)30-23(18)29)26-27-20-8-3-2-7-19(20)24/h2-13H,1H3,(H,25,28)
InChIKey
HYENGBBCWLYETF-UHFFFAOYSA-N
Compound name
6-[(2-chlorophenyl)diazenyl]-N-(3-methylphenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.088 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.09528 201.5
[M+Na]+ 440.07722 210.7
[M-H]- 416.08072 215.5
[M+NH4]+ 435.12182 212.3
[M+K]+ 456.05116 206.0
[M+H-H2O]+ 400.08526 190.6
[M+HCOO]- 462.08620 224.0
[M+CH3COO]- 476.10185 212.4
[M+Na-2H]- 438.06267 207.4
[M]+ 417.08745 207.7
[M]- 417.08855 207.7
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.