CID 5900531

303103-82-4

Structural Information

Molecular Formula
C22H28N4O2
SMILES
C/C(=N/NC(=O)CN1CCN(CC1)CC2=CC=CC=C2)/C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H28N4O2/c1-18(20-8-10-21(28-2)11-9-20)23-24-22(27)17-26-14-12-25(13-15-26)16-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3,(H,24,27)/b23-18-
InChIKey
PIVUOCJMIYGSIK-NKFKGCMQSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.22122 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22850 193.5
[M+Na]+ 403.21044 195.1
[M-H]- 379.21394 200.0
[M+NH4]+ 398.25504 201.4
[M+K]+ 419.18438 190.7
[M+H-H2O]+ 363.21848 181.2
[M+HCOO]- 425.21942 211.7
[M+CH3COO]- 439.23507 225.8
[M+Na-2H]- 401.19589 194.8
[M]+ 380.22067 190.5
[M]- 380.22177 190.5
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.