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]+ 405.192116 197.3
[M+Na]+ 427.174058 199.7
[M-H]- 403.177564 203.7
[M+NH4]+ 422.218663 205.2
[M+K]+ 443.147998 194.8
[M+H-H2O]+ 387.182100 185.7
[M+HCOO]- 449.183041 218.3
[M+CH3COO]- 463.198691 225.5
[M+Na-2H]- 425.159506 197.9
[M]+ 404.18429142 197.6
[M]- 404.18538858 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.