CID 9588040

1-piperazineacetic acid, 4-(3-methylphenyl)-, ((3,4-dimethoxyphenyl)methylene)hydrazide

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]+ 397.223436 197.6
[M+Na]+ 419.205378 201.2
[M-H]- 395.208884 204.8
[M+NH4]+ 414.249983 205.4
[M+K]+ 435.179318 197.0
[M+H-H2O]+ 379.213420 185.3
[M+HCOO]- 441.214361 217.0
[M+CH3COO]- 455.230011 229.7
[M+Na-2H]- 417.190826 198.6
[M]+ 396.21561142 197.5
[M]- 396.21670858 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.