CID 6504518

N-[(1z)-1-(2-fluorophenyl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

Structural Information

Molecular Formula
C21H21FN2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2F)/C(=O)N3CCOCC3
InChI
InChI=1S/C21H21FN2O3/c1-15-6-8-16(9-7-15)20(25)23-19(14-17-4-2-3-5-18(17)22)21(26)24-10-12-27-13-11-24/h2-9,14H,10-13H2,1H3,(H,23,25)/b19-14-
InChIKey
VGQSDAPSMIOESJ-RGEXLXHISA-N
Compound name
N-[(Z)-1-(2-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.15363 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16091 188.9
[M+Na]+ 391.14285 191.7
[M-H]- 367.14635 195.2
[M+NH4]+ 386.18745 196.9
[M+K]+ 407.11679 188.1
[M+H-H2O]+ 351.15089 177.5
[M+HCOO]- 413.15183 203.7
[M+CH3COO]- 427.16748 217.3
[M+Na-2H]- 389.12830 188.3
[M]+ 368.15308 183.7
[M]- 368.15418 183.7
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.