CID 9554205

Brn 0904002

Structural Information

Molecular Formula
C25H24ClN3O3
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)COC3=CC=C(C=C3)/C(=N/O)/C4=CC=CC=C4
InChI
InChI=1S/C25H24ClN3O3/c26-21-8-10-22(11-9-21)28-14-16-29(17-15-28)24(30)18-32-23-12-6-20(7-13-23)25(27-31)19-4-2-1-3-5-19/h1-13,31H,14-18H2/b27-25+
InChIKey
VPUOMJLDZPYHCP-IMVLJIQESA-N
Compound name
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenoxy]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1506 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.15788 206.7
[M+Na]+ 472.13982 209.9
[M-H]- 448.14332 214.9
[M+NH4]+ 467.18442 211.7
[M+K]+ 488.11376 203.1
[M+H-H2O]+ 432.14786 193.8
[M+HCOO]- 494.14880 218.0
[M+CH3COO]- 508.16445 213.1
[M+Na-2H]- 470.12527 206.8
[M]+ 449.15005 205.1
[M]- 449.15115 205.1
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.