CID 9575076

N-[(e)-(4-fluorophenyl)methyleneamino]-4-[(4-methoxybenzoyl)amino]benzamide

Structural Information

Molecular Formula
C22H18FN3O3
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C22H18FN3O3/c1-29-20-12-6-16(7-13-20)21(27)25-19-10-4-17(5-11-19)22(28)26-24-14-15-2-8-18(23)9-3-15/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+
InChIKey
XEENOKFYGACUFD-ZVHZXABRSA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.1332 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14048 192.2
[M+Na]+ 414.12242 197.1
[M-H]- 390.12592 201.6
[M+NH4]+ 409.16702 202.3
[M+K]+ 430.09636 192.7
[M+H-H2O]+ 374.13046 180.3
[M+HCOO]- 436.13140 217.6
[M+CH3COO]- 450.14705 229.4
[M+Na-2H]- 412.10787 195.1
[M]+ 391.13265 191.8
[M]- 391.13375 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

literature stripe

Patent stripe

No patent data available for this compound.