CID 216758

1-(2-benzylbenzyl)-4-nitrosopiperazine hydrogen maleate

Structural Information

Molecular Formula
C18H21N3O
SMILES
C1CN(CCN1CC2=CC=CC=C2CC3=CC=CC=C3)N=O
InChI
InChI=1S/C18H21N3O/c22-19-21-12-10-20(11-13-21)15-18-9-5-4-8-17(18)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKey
GSGXHTNHXPZZPL-UHFFFAOYSA-N
Compound name
1-[(2-benzylphenyl)methyl]-4-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 172.0
[M+Na]+ 318.15768 186.5
[M+NH4]+ 313.20228 180.3
[M+K]+ 334.13162 177.3
[M-H]- 294.16118 178.7
[M+Na-2H]- 316.14313 182.5
[M]+ 295.16791 176.0
[M]- 295.16901 176.0
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.