CID 541107

Mls000576197

Structural Information

Molecular Formula
C16H14Cl2N2O3
SMILES
CC(=O)NC1=CC(=C(C=C1Cl)Cl)N=CC2=C(C=CC(=C2)OC)O
InChI
InChI=1S/C16H14Cl2N2O3/c1-9(21)20-15-7-14(12(17)6-13(15)18)19-8-10-5-11(23-2)3-4-16(10)22/h3-8,22H,1-2H3,(H,20,21)
InChIKey
KBZVYBJFHKBRNI-UHFFFAOYSA-N
Compound name
N-[2,4-dichloro-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

27
Patents

352.03815 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.045426 177.9
[M+Na]+ 375.027368 187.8
[M-H]- 351.030874 184.8
[M+NH4]+ 370.071973 192.4
[M+K]+ 391.001308 181.8
[M+H-H2O]+ 335.035410 171.8
[M+HCOO]- 397.036351 194.1
[M+CH3COO]- 411.052001 216.0
[M+Na-2H]- 373.012816 179.6
[M]+ 352.03760142 184.1
[M]- 352.03869858 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe