CID 168432539

1-(4-chloro-benzhydryl)-4-nitroso-piperazine

Structural Information

Molecular Formula
C17H22ClN3O
SMILES
C1CN(CCN1C(C2CC=CC=C2)C3=CCC(=CC3)Cl)N=O
InChI
InChI=1S/C17H22ClN3O/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-10-12-21(19-22)13-11-20/h1-4,6,9,14,17H,5,7-8,10-13H2
InChIKey
LVBCSDHSHLPOCG-UHFFFAOYSA-N
Compound name
1-[(4-chlorocyclohexa-1,4-dien-1-yl)-cyclohexa-2,4-dien-1-ylmethyl]-4-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.14514 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15242 175.7
[M+Na]+ 342.13436 179.0
[M-H]- 318.13786 181.8
[M+NH4]+ 337.17896 187.2
[M+K]+ 358.10830 174.0
[M+H-H2O]+ 302.14240 164.6
[M+HCOO]- 364.14334 187.6
[M+CH3COO]- 378.15899 184.2
[M+Na-2H]- 340.11981 177.2
[M]+ 319.14459 171.1
[M]- 319.14569 171.1
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.