CID 135473276

315183-08-5

Structural Information

Molecular Formula
C20H24N4O2
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(=O)N/N=C\C3=CC=CC=C3O
InChI
InChI=1S/C20H24N4O2/c25-19-9-5-4-8-18(19)14-21-22-20(26)16-24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9,14,25H,10-13,15-16H2,(H,22,26)/b21-14-
InChIKey
VPOFFCAWPSKAPK-STZFKDTASA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

352.1899 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 184.4
[M+Na]+ 375.17912 186.8
[M-H]- 351.18262 189.9
[M+NH4]+ 370.22372 192.9
[M+K]+ 391.15306 181.5
[M+H-H2O]+ 335.18716 172.6
[M+HCOO]- 397.18810 202.9
[M+CH3COO]- 411.20375 216.8
[M+Na-2H]- 373.16457 187.6
[M]+ 352.18935 179.6
[M]- 352.19045 179.6
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

patents stripe