CID 9635039

397287-96-6

Structural Information

Molecular Formula
C24H22ClFN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)F)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H22ClFN2O4/c1-2-30-23-13-18(5-12-22(23)32-15-17-3-6-19(25)7-4-17)14-27-28-24(29)16-31-21-10-8-20(26)9-11-21/h3-14H,2,15-16H2,1H3,(H,28,29)/b27-14+
InChIKey
JQMZTSQTNPPGOE-MZJWZYIUSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-fluorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.1252 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.132476 208.3
[M+Na]+ 479.114418 214.7
[M-H]- 455.117924 217.4
[M+NH4]+ 474.159023 217.4
[M+K]+ 495.088358 208.9
[M+H-H2O]+ 439.122460 196.6
[M+HCOO]- 501.123401 228.4
[M+CH3COO]- 515.139051 237.2
[M+Na-2H]- 477.099866 209.6
[M]+ 456.12465142 215.0
[M]- 456.12574858 215.0
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.