CID 3104248

F0095-0014

Structural Information

Molecular Formula
C19H19FN2O3
SMILES
COCCNC(=O)C(=CC1=CC=CC=C1F)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H19FN2O3/c1-25-12-11-21-19(24)17(13-15-9-5-6-10-16(15)20)22-18(23)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKey
FHPNSQYEFLKURY-UHFFFAOYSA-N
Compound name
N-[1-(2-fluorophenyl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.13797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14525 180.9
[M+Na]+ 365.12719 184.4
[M-H]- 341.13069 185.4
[M+NH4]+ 360.17179 192.8
[M+K]+ 381.10113 180.5
[M+H-H2O]+ 325.13523 170.9
[M+HCOO]- 387.13617 202.8
[M+CH3COO]- 401.15182 215.2
[M+Na-2H]- 363.11264 182.1
[M]+ 342.13742 179.6
[M]- 342.13852 179.6
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.