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]+ 369.160906 188.9
[M+Na]+ 391.142848 191.7
[M-H]- 367.146354 195.2
[M+NH4]+ 386.187453 196.9
[M+K]+ 407.116788 188.1
[M+H-H2O]+ 351.150890 177.5
[M+HCOO]- 413.151831 203.7
[M+CH3COO]- 427.167481 217.3
[M+Na-2H]- 389.128296 188.3
[M]+ 368.15308142 183.7
[M]- 368.15417858 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.