CID 9588040

Brn 0857966

Structural Information

Molecular Formula
C22H28N4O3
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N/N=C/C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H28N4O3/c1-17-5-4-6-19(13-17)26-11-9-25(10-12-26)16-22(27)24-23-15-18-7-8-20(28-2)21(14-18)29-3/h4-8,13-15H,9-12,16H2,1-3H3,(H,24,27)/b23-15+
InChIKey
PPTMSMTYZPHBHN-HZHRSRAPSA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.21616 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.22344 198.1
[M+Na]+ 419.20538 209.8
[M+NH4]+ 414.24998 203.5
[M+K]+ 435.17932 202.4
[M-H]- 395.20888 203.5
[M+Na-2H]- 417.19083 205.4
[M]+ 396.21561 201.0
[M]- 396.21671 201.0
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.