CID 135810907

2-(4-(2-chlorobenzyl)-1-piperazinyl)-n'-(2,4-dihydroxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C20H23ClN4O3
SMILES
C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)N/N=C\C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C20H23ClN4O3/c21-18-4-2-1-3-16(18)13-24-7-9-25(10-8-24)14-20(28)23-22-12-15-5-6-17(26)11-19(15)27/h1-6,11-12,26-27H,7-10,13-14H2,(H,23,28)/b22-12-
InChIKey
JAGXXJVGGRWQEL-UUYOSTAYSA-N
Compound name
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.14587 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15315 194.8
[M+Na]+ 425.13509 199.2
[M-H]- 401.13859 199.5
[M+NH4]+ 420.17969 202.0
[M+K]+ 441.10903 192.5
[M+H-H2O]+ 385.14313 184.2
[M+HCOO]- 447.14407 207.4
[M+CH3COO]- 461.15972 222.9
[M+Na-2H]- 423.12054 195.6
[M]+ 402.14532 192.8
[M]- 402.14642 192.8
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.