CID 7033587

302822-50-0

Structural Information

Molecular Formula
C19H19FN2O3
SMILES
COCCNC(=O)/C(=C/C1=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)/b17-13-
InChIKey
FHPNSQYEFLKURY-LGMDPLHJSA-N
Compound name
N-[(Z)-1-(2-fluorophenyl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 343.145246 180.9
[M+Na]+ 365.127188 184.4
[M-H]- 341.130694 185.4
[M+NH4]+ 360.171793 192.8
[M+K]+ 381.101128 180.5
[M+H-H2O]+ 325.135230 170.9
[M+HCOO]- 387.136171 202.8
[M+CH3COO]- 401.151821 215.2
[M+Na-2H]- 363.112636 182.1
[M]+ 342.13742142 179.6
[M]- 342.13851858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.