CID 10292658

(e)-n-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide

Structural Information

Molecular Formula
C21H22F2N2O2
SMILES
CC(C1=CC(=C(C=C1)F)N2CCOCC2)NC(=O)/C=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C21H22F2N2O2/c1-15(24-21(26)9-4-16-2-6-18(22)7-3-16)17-5-8-19(23)20(14-17)25-10-12-27-13-11-25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b9-4+
InChIKey
GJTBBHPPJLHWKQ-RUDMXATFSA-N
Compound name
(E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

372.16495 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17223 190.8
[M+Na]+ 395.15417 194.8
[M-H]- 371.15767 195.9
[M+NH4]+ 390.19877 199.1
[M+K]+ 411.12811 189.9
[M+H-H2O]+ 355.16221 178.4
[M+HCOO]- 417.16315 205.1
[M+CH3COO]- 431.17880 219.4
[M+Na-2H]- 393.13962 189.8
[M]+ 372.16440 184.8
[M]- 372.16550 184.8
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

patents stripe