CID 9638193

Chembl2323353

Structural Information

Molecular Formula
C22H28N4O2
SMILES
CCOC1=CC=C(C=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H28N4O2/c1-2-28-21-10-8-19(9-11-21)16-23-24-22(27)18-26-14-12-25(13-15-26)17-20-6-4-3-5-7-20/h3-11,16H,2,12-15,17-18H2,1H3,(H,24,27)/b23-16+
InChIKey
UPMKYKMAAXFDGH-XQNSMLJCSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.22122 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22850 193.3
[M+Na]+ 403.21044 195.1
[M-H]- 379.21394 199.6
[M+NH4]+ 398.25504 201.2
[M+K]+ 419.18438 190.2
[M+H-H2O]+ 363.21848 180.6
[M+HCOO]- 425.21942 212.5
[M+CH3COO]- 439.23507 225.0
[M+Na-2H]- 401.19589 195.7
[M]+ 380.22067 190.8
[M]- 380.22177 190.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.