CID 45054439

769142-14-5

Structural Information

Molecular Formula
C21H16ClFN2O2
SMILES
C1=CC(=CC(=C1)F)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H16ClFN2O2/c22-18-8-4-15(5-9-18)14-27-20-10-6-17(7-11-20)21(26)25-24-13-16-2-1-3-19(23)12-16/h1-13H,14H2,(H,25,26)/b24-13+
InChIKey
AWJNZKBGHVMEJY-ZMOGYAJESA-N
Compound name
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.08844 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.095716 189.3
[M+Na]+ 405.077658 196.7
[M-H]- 381.081164 198.6
[M+NH4]+ 400.122263 201.4
[M+K]+ 421.051598 189.8
[M+H-H2O]+ 365.085700 178.6
[M+HCOO]- 427.086641 210.2
[M+CH3COO]- 441.102291 223.0
[M+Na-2H]- 403.063106 192.7
[M]+ 382.08789142 191.8
[M]- 382.08898858 191.8
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.