CID 5936081

324562-08-5

Structural Information

Molecular Formula
C23H23FN4O2
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)F)/C(=O)NCCCN3C=CN=C3
InChI
InChI=1S/C23H23FN4O2/c1-17-3-7-19(8-4-17)22(29)27-21(15-18-5-9-20(24)10-6-18)23(30)26-11-2-13-28-14-12-25-16-28/h3-10,12,14-16H,2,11,13H2,1H3,(H,26,30)(H,27,29)/b21-15+
InChIKey
QDSSRWCKMIZGDM-RCCKNPSSSA-N
Compound name
N-[(E)-1-(4-fluorophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1805 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18778 198.6
[M+Na]+ 429.16972 208.3
[M+NH4]+ 424.21432 202.7
[M+K]+ 445.14366 203.6
[M-H]- 405.17322 201.2
[M+Na-2H]- 427.15517 205.2
[M]+ 406.17995 200.2
[M]- 406.18105 200.2
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.