CID 6438256

Brn 1086333

Structural Information

Molecular Formula
C20H18ClFN2O2
SMILES
C1=CC=C(C=C1)C2=N/C(=C/C3=CC=C(C=C3)N(CCF)CCCl)/C(=O)O2
InChI
InChI=1S/C20H18ClFN2O2/c21-10-12-24(13-11-22)17-8-6-15(7-9-17)14-18-20(25)26-19(23-18)16-4-2-1-3-5-16/h1-9,14H,10-13H2/b18-14+
InChIKey
SSDRTDWYTKJXLN-NBVRZTHBSA-N
Compound name
(4E)-4-[[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1041 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11138 189.0
[M+Na]+ 395.09332 196.6
[M-H]- 371.09682 197.6
[M+NH4]+ 390.13792 201.1
[M+K]+ 411.06726 190.9
[M+H-H2O]+ 355.10136 178.6
[M+HCOO]- 417.10230 206.3
[M+CH3COO]- 431.11795 218.4
[M+Na-2H]- 393.07877 189.4
[M]+ 372.10355 192.3
[M]- 372.10465 192.3
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.