CID 9636207

765274-95-1

Structural Information

Molecular Formula
C23H20BrClN2O3
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H20BrClN2O3/c1-2-29-22-13-17(14-26-27-23(28)18-6-8-19(24)9-7-18)5-12-21(22)30-15-16-3-10-20(25)11-4-16/h3-14H,2,15H2,1H3,(H,27,28)/b26-14+
InChIKey
MCJLXANSXWVMBA-VULFUBBASA-N
Compound name
4-bromo-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.03458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.04186 205.9
[M+Na]+ 509.02380 215.1
[M-H]- 485.02730 218.2
[M+NH4]+ 504.06840 217.9
[M+K]+ 524.99774 201.4
[M+H-H2O]+ 469.03184 201.7
[M+HCOO]- 531.03278 224.4
[M+CH3COO]- 545.04843 236.0
[M+Na-2H]- 507.00925 209.0
[M]+ 486.03403 229.7
[M]- 486.03513 229.7
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.