CID 6475166

N-{4-[(4-methylpiperazinyl)methyl]phenyl}-3-phenylprop-2-enamide

Structural Information

Molecular Formula
C21H25N3O
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O/c1-23-13-15-24(16-14-23)17-19-7-10-20(11-8-19)22-21(25)12-9-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3,(H,22,25)/b12-9+
InChIKey
YXMDIPWWLQYWLS-FMIVXFBMSA-N
Compound name
(E)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 183.6
[M+Na]+ 358.18899 186.6
[M-H]- 334.19249 188.9
[M+NH4]+ 353.23359 193.2
[M+K]+ 374.16293 180.3
[M+H-H2O]+ 318.19703 172.1
[M+HCOO]- 380.19797 200.4
[M+CH3COO]- 394.21362 212.4
[M+Na-2H]- 356.17444 185.3
[M]+ 335.19922 178.3
[M]- 335.20032 178.3
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.