CID 9588027

1-piperazineacetic acid, 4-phenyl-, ((2,3-dimethoxyphenyl)methylene)hydrazide

Structural Information

Molecular Formula
C21H26N4O3
SMILES
COC1=CC=CC(=C1OC)/C=N/NC(=O)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N4O3/c1-27-19-10-6-7-17(21(19)28-2)15-22-23-20(26)16-24-11-13-25(14-12-24)18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3,(H,23,26)/b22-15+
InChIKey
YIOIQDODYZUQAA-PXLXIMEGSA-N
Compound name
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.207776 192.4
[M+Na]+ 405.189718 195.5
[M-H]- 381.193224 199.4
[M+NH4]+ 400.234323 200.5
[M+K]+ 421.163658 191.5
[M+H-H2O]+ 365.197760 180.0
[M+HCOO]- 427.198701 212.1
[M+CH3COO]- 441.214351 225.4
[M+Na-2H]- 403.175166 194.7
[M]+ 382.19995142 191.5
[M]- 382.20104858 191.5
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.