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 170.7
[M+Na]+ 318.15768 175.3
[M-H]- 294.16118 177.6
[M+NH4]+ 313.20228 182.6
[M+K]+ 334.13162 170.5
[M+H-H2O]+ 278.16572 159.0
[M+HCOO]- 340.16666 190.8
[M+CH3COO]- 354.18231 180.5
[M+Na-2H]- 316.14313 175.5
[M]+ 295.16791 167.6
[M]- 295.16901 167.6
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

No patent data available for this compound.