CID 5916192

324561-94-6

Structural Information

Molecular Formula
C23H24N4O3
SMILES
COC1=CC=C(C=C1)/C=C(\C(=O)NCCCN2C=CN=C2)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H24N4O3/c1-30-20-10-8-18(9-11-20)16-21(26-22(28)19-6-3-2-4-7-19)23(29)25-12-5-14-27-15-13-24-17-27/h2-4,6-11,13,15-17H,5,12,14H2,1H3,(H,25,29)(H,26,28)/b21-16+
InChIKey
MZRZYLMNEVRUDL-LTGZKZEYSA-N
Compound name
N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.18484 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19212 198.6
[M+Na]+ 427.17406 208.5
[M+NH4]+ 422.21866 202.9
[M+K]+ 443.14800 204.1
[M-H]- 403.17756 202.3
[M+Na-2H]- 425.15951 205.9
[M]+ 404.18429 200.6
[M]- 404.18539 200.6
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.