CID 135568399

Brn 4579207

Structural Information

Molecular Formula
C22H20ClN3O3
SMILES
CC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C22H20ClN3O3/c1-14-5-3-4-6-18(14)25-19-12-16(23)8-9-17(19)22(28)26-24-13-15-7-10-20(27)21(11-15)29-2/h3-13,25,27H,1-2H3,(H,26,28)/b24-13+
InChIKey
OWICFIRARKRLGG-ZMOGYAJESA-N
Compound name
4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.11932 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.12660 198.1
[M+Na]+ 432.10854 205.2
[M-H]- 408.11204 208.1
[M+NH4]+ 427.15314 208.6
[M+K]+ 448.08248 199.1
[M+H-H2O]+ 392.11658 188.5
[M+HCOO]- 454.11752 219.4
[M+CH3COO]- 468.13317 231.0
[M+Na-2H]- 430.09399 200.4
[M]+ 409.11877 201.8
[M]- 409.11987 201.8
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.