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 197.3
[M+Na]+ 427.17406 199.7
[M-H]- 403.17756 203.7
[M+NH4]+ 422.21866 205.2
[M+K]+ 443.14800 194.8
[M+H-H2O]+ 387.18210 185.7
[M+HCOO]- 449.18304 218.3
[M+CH3COO]- 463.19869 225.5
[M+Na-2H]- 425.15951 197.9
[M]+ 404.18429 197.6
[M]- 404.18539 197.6
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.