CID 135490239

Schembl12155709

Structural Information

Molecular Formula
C23H16Cl2N2O3
SMILES
COC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)C=NC4=CC(=CC(=C4)Cl)Cl
InChI
InChI=1S/C23H16Cl2N2O3/c1-29-18-8-6-16(7-9-18)27-22-19-4-2-3-5-21(19)30-23(28)20(22)13-26-17-11-14(24)10-15(25)12-17/h2-13,27H,1H3
InChIKey
AJWYVMZLDKAPQS-UHFFFAOYSA-N
Compound name
3-[(3,5-dichlorophenyl)iminomethyl]-4-(4-methoxyanilino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

438.0538 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.06108 205.0
[M+Na]+ 461.04302 215.9
[M-H]- 437.04652 217.1
[M+NH4]+ 456.08762 215.7
[M+K]+ 477.01696 209.6
[M+H-H2O]+ 421.05106 195.2
[M+HCOO]- 483.05200 220.7
[M+CH3COO]- 497.06765 215.5
[M+Na-2H]- 459.02847 209.4
[M]+ 438.05325 213.4
[M]- 438.05435 213.4
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

patents stripe