CID 6871343

331461-73-5

Structural Information

Molecular Formula
C22H18ClFN2O2S
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)/C=N/NC(=O)CSC3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C22H18ClFN2O2S/c23-18-5-11-21(12-6-18)29-15-22(27)26-25-13-16-3-9-20(10-4-16)28-14-17-1-7-19(24)8-2-17/h1-13H,14-15H2,(H,26,27)/b25-13+
InChIKey
FADSHVPMSNXOHG-DHRITJCHSA-N
Compound name
2-(4-chlorophenyl)sulfanyl-N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.07614 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.08342 198.8
[M+Na]+ 451.06536 205.8
[M-H]- 427.06886 207.9
[M+NH4]+ 446.10996 209.7
[M+K]+ 467.03930 197.8
[M+H-H2O]+ 411.07340 188.4
[M+HCOO]- 473.07434 214.3
[M+CH3COO]- 487.08999 229.2
[M+Na-2H]- 449.05081 199.9
[M]+ 428.07559 203.8
[M]- 428.07669 203.8
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.