CID 2826234

Ccg-44553

Structural Information

Molecular Formula
C17H19ClN2O3
SMILES
COC1=C(C=C(C=C1)Cl)NCCN=CC2=C(C(=CC=C2)OC)O
InChI
InChI=1S/C17H19ClN2O3/c1-22-15-7-6-13(18)10-14(15)20-9-8-19-11-12-4-3-5-16(23-2)17(12)21/h3-7,10-11,20-21H,8-9H2,1-2H3
InChIKey
KFNPUCSHZJDRTP-UHFFFAOYSA-N
Compound name
2-[2-(5-chloro-2-methoxyanilino)ethyliminomethyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

334.10843 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.115706 176.9
[M+Na]+ 357.097648 185.0
[M-H]- 333.101154 183.8
[M+NH4]+ 352.142253 191.4
[M+K]+ 373.071588 179.9
[M+H-H2O]+ 317.105690 169.1
[M+HCOO]- 379.106631 198.5
[M+CH3COO]- 393.122281 214.1
[M+Na-2H]- 355.083096 180.7
[M]+ 334.10788142 182.9
[M]- 334.10897858 182.9
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

No patent data available for this compound.