CID 9588043

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

Structural Information

Molecular Formula
C21H26N4O3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CC(=O)N/N=C/C3=CC(=C(C=C3)OC)O
InChI
InChI=1S/C21H26N4O3/c1-16-3-6-18(7-4-16)25-11-9-24(10-12-25)15-21(27)23-22-14-17-5-8-20(28-2)19(26)13-17/h3-8,13-14,26H,9-12,15H2,1-2H3,(H,23,27)/b22-14+
InChIKey
XPDAVGSNOZAMME-HYARGMPZSA-N
Compound name
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(4-methylphenyl)piperazin-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 193.2
[M+Na]+ 405.189718 196.8
[M-H]- 381.193224 199.3
[M+NH4]+ 400.234323 200.9
[M+K]+ 421.163658 192.1
[M+H-H2O]+ 365.197760 181.5
[M+HCOO]- 427.198701 211.4
[M+CH3COO]- 441.214351 224.5
[M+Na-2H]- 403.175166 194.3
[M]+ 382.19995142 190.9
[M]- 382.20104858 190.9
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.