CID 9578453

Brn 0901437

Structural Information

Molecular Formula
C20H22ClN3O3
SMILES
C/C(=N\O)/C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22ClN3O3/c1-15(22-26)16-2-8-19(9-3-16)27-14-20(25)24-12-10-23(11-13-24)18-6-4-17(21)5-7-18/h2-9,26H,10-14H2,1H3/b22-15+
InChIKey
BNLGXJXSZJOWTA-PXLXIMEGSA-N
Compound name
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.13498 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.14226 190.7
[M+Na]+ 410.12420 195.2
[M-H]- 386.12770 196.5
[M+NH4]+ 405.16880 199.2
[M+K]+ 426.09814 189.7
[M+H-H2O]+ 370.13224 179.9
[M+HCOO]- 432.13318 202.7
[M+CH3COO]- 446.14883 219.4
[M+Na-2H]- 408.10965 190.9
[M]+ 387.13443 190.2
[M]- 387.13553 190.2
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.