CID 135568398

Brn 4580770

Structural Information

Molecular Formula
C21H18ClN3O3
SMILES
COC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C21H18ClN3O3/c1-28-20-5-3-2-4-18(20)24-19-12-15(22)8-11-17(19)21(27)25-23-13-14-6-9-16(26)10-7-14/h2-13,24,26H,1H3,(H,25,27)/b23-13+
InChIKey
YGSKVOSCKXABLM-YDZHTSKRSA-N
Compound name
4-chloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.10367 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.11095 192.8
[M+Na]+ 418.09289 199.5
[M-H]- 394.09639 202.6
[M+NH4]+ 413.13749 203.6
[M+K]+ 434.06683 193.4
[M+H-H2O]+ 378.10093 183.3
[M+HCOO]- 440.10187 214.5
[M+CH3COO]- 454.11752 226.8
[M+Na-2H]- 416.07834 196.4
[M]+ 395.10312 195.8
[M]- 395.10422 195.8
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.