CID 6872742

329777-98-2

Structural Information

Molecular Formula
C22H19ClFN3O2
SMILES
C1=CC=C(C=C1)NCC(=O)N/N=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C22H19ClFN3O2/c23-20-12-17(8-11-21(20)29-15-16-6-9-18(24)10-7-16)13-26-27-22(28)14-25-19-4-2-1-3-5-19/h1-13,25H,14-15H2,(H,27,28)/b26-13+
InChIKey
AVBHWTXJMBVJMA-LGJNPRDNSA-N
Compound name
2-anilino-N-[(E)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.115 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.12228 196.9
[M+Na]+ 434.10422 202.9
[M-H]- 410.10772 205.9
[M+NH4]+ 429.14882 207.4
[M+K]+ 450.07816 195.9
[M+H-H2O]+ 394.11226 185.7
[M+HCOO]- 456.11320 218.5
[M+CH3COO]- 470.12885 231.0
[M+Na-2H]- 432.08967 200.4
[M]+ 411.11445 199.2
[M]- 411.11555 199.2
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.