CID 9588039

Brn 0860109

Structural Information

Molecular Formula
C22H28N4O3
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N/N=C/C3=C(C(=CC=C3)OC)OC
InChI
InChI=1S/C22H28N4O3/c1-17-6-4-8-19(14-17)26-12-10-25(11-13-26)16-21(27)24-23-15-18-7-5-9-20(28-2)22(18)29-3/h4-9,14-15H,10-13,16H2,1-3H3,(H,24,27)/b23-15+
InChIKey
ZVZXFKQAKZQZSS-HZHRSRAPSA-N
Compound name
N-[(E)-(2,3-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 197.6
[M+Na]+ 419.20538 201.2
[M-H]- 395.20888 204.8
[M+NH4]+ 414.24998 205.4
[M+K]+ 435.17932 197.0
[M+H-H2O]+ 379.21342 185.3
[M+HCOO]- 441.21436 217.0
[M+CH3COO]- 455.23001 229.7
[M+Na-2H]- 417.19083 198.6
[M]+ 396.21561 197.5
[M]- 396.21671 197.5
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.