CID 370465

Nsc643596

Structural Information

Molecular Formula
C22H13Cl2N3O3
SMILES
C1=CC=C(C(=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H13Cl2N3O3/c23-14-5-7-15(8-6-14)25-21(28)17-12-13-11-16(9-10-20(13)30-22(17)29)26-27-19-4-2-1-3-18(19)24/h1-12H,(H,25,28)
InChIKey
ARPLBCSMWDQQSD-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-6-[(2-chlorophenyl)diazenyl]-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.0334 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.04068 203.8
[M+Na]+ 460.02262 213.9
[M-H]- 436.02612 217.0
[M+NH4]+ 455.06722 214.4
[M+K]+ 475.99656 208.4
[M+H-H2O]+ 420.03066 193.8
[M+HCOO]- 482.03160 221.5
[M+CH3COO]- 496.04725 214.4
[M+Na-2H]- 458.00807 209.3
[M]+ 437.03285 211.5
[M]- 437.03395 211.5
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.