CID 135568397

Brn 4590768

Structural Information

Molecular Formula
C22H20ClN3O4
SMILES
COC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C22H20ClN3O4/c1-29-20-6-4-3-5-17(20)25-18-12-15(23)8-9-16(18)22(28)26-24-13-14-7-10-19(27)21(11-14)30-2/h3-13,25,27H,1-2H3,(H,26,28)/b24-13+
InChIKey
SOBYFLSGRVQJJI-ZMOGYAJESA-N
Compound name
4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.11423 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.12151 200.3
[M+Na]+ 448.10345 207.1
[M-H]- 424.10695 210.3
[M+NH4]+ 443.14805 210.1
[M+K]+ 464.07739 201.8
[M+H-H2O]+ 408.11149 190.5
[M+HCOO]- 470.11243 221.8
[M+CH3COO]- 484.12808 233.3
[M+Na-2H]- 446.08890 202.8
[M]+ 425.11368 205.4
[M]- 425.11478 205.4
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

No patent data available for this compound.